ethyl 4-cyano-5-[3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C31H26N4O3S2 MolecularWeight: 566.69314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N)C#N)C

InChI

InChI=1S/C31H26N4O3S2/c1-4-38-31(37)28-20(3)24(17-32)30(40-28)35-27(36)14-15-39-29-25(18-33)23(21-12-10-19(2)11-13-21)16-26(34-29)22-8-6-5-7-9-22/h5-13,16H,4,14-15H2,1-3H3,(H,35,36)