2',3',4,5-tetramethyl 8'-ethoxy-5',5'-dimethyl-6'-(prop-2-enoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

2',3',4,5-tetramethyl 8'-ethoxy-5',5'-dimethyl-6'-(prop-2-enoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Formula: C29H29NO10S3

SMILES: CCOC1=CC=C2C(=C1)N(C(=O)C=C)C(C)(C)C1=C2C2(SC(C(=O)OC)=C(S2)C(=O)OC)C(C(=O)OC)=C(S1)C(=O)OC

IUPAC: 2',3',4,5-tetramethyl 8'-ethoxy-5',5'-dimethyl-6'-(prop-2-enoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

InChI: InChI=1S/C29H29NO10S3/c1-9-17(31)30-16-13-14(40-10-2)11-12-15(16)18-23(28(30,3)4)41-20(25(33)37-6)19(24(32)36-5)29(18)42-21(26(34)38-7)22(43-29)27(35)39-8/h9,11-13H,1,10H2,2-8H3

Composition: C (53.78%), H (4.51%), N (2.16%), O (24.70%), S (14.85%)

Molar Mass: 647.73

Atom Count: 72

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	647.09535966
Formal Charge	0
FSP3	0.34
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	YWXJMBZROMSWRY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	166.97
Topological Polar Surface Area	134.74
Polarizability	63.88
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H29NO10S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00