methyl 2-(2-methoxy-4-{[(5Z)-3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

methyl 2-(2-methoxy-4-{[(5Z)-3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

Formula: C21H18N2O8S

SMILES: COC(=O)COC1=CC=C(C=C2/SC(=O)N(CC3=CC=CC(=C3)[N+]([O-])=O)C2=O)C=C1OC

IUPAC: methyl 2-(2-methoxy-4-{[(5Z)-3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

InChI: InChI=1S/C21H18N2O8S/c1-29-17-9-13(6-7-16(17)31-12-19(24)30-2)10-18-20(25)22(21(26)32-18)11-14-4-3-5-15(8-14)23(27)28/h3-10H,11-12H2,1-2H3/b18-10-

Composition: C (55.02%), H (3.96%), N (6.11%), O (27.92%), S (6.99%)

Molar Mass: 458.44

Atom Count: 50

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	458.078386722
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	GHLAYQCYHYKFGF-ZDLGFXPLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.83
Topological Polar Surface Area	125.28
Polarizability	44.03
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N2O8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00