3-(2-ethoxy-6-iodo-4-{[(5E)-3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

3-(2-ethoxy-6-iodo-4-{[(5E)-3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C27H21IN2O8S

SMILES: CCOC1=CC(C=C2SC(=O)N(CC3=CC=CC(=C3)[N+]([O-])=O)C2=O)=CC(I)=C1OCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-[(2-ethoxy-6-iodo-4-{[(5E)-3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C27H21IN2O8S/c1-2-37-22-12-18(11-21(28)24(22)38-15-17-6-3-7-19(9-17)26(32)33)13-23-25(31)29(27(34)39-23)14-16-5-4-8-20(10-16)30(35)36/h3-13H,2,14-15H2,1H3,(H,32,33)/b23-13+

Composition: C (49.10%), H (3.21%), I (19.22%), N (4.24%), O (19.38%), S (4.85%)

Molar Mass: 660.44

Atom Count: 60

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	660.00633
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	KYOYPRKEHVALPF-YDZHTSKRSA-N
Lipinski's Rule of Five
Molar Refractivity	154.96
Topological Polar Surface Area	136.28
Polarizability	58.47
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H21IN2O8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00