8-[[3-[2-[(3-cyano-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-[(3-cyano-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-[(3-cyano-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-[(3-cyano-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-[(3-cyano-4-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C31H21N3O4S2 MolecularWeight: 563.64614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C31H21N3O4S2/c32-16-25-26(19-7-2-1-3-8-19)17-40-30(25)34-27(35)18-39-22-12-6-11-21(15-22)33-29(36)23-13-4-9-20-10-5-14-24(28(20)23)31(37)38/h1-15,17H,18H2,(H,33,36)(H,34,35)(H,37,38)