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

Systemtic Name: ethyl 4-cyano-5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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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=C(C=C3)C)C#N)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3S2/c1-4-32-25(31)22-16(3)19(14-27)24(34-22)29-21(30)11-12-33-23-18(13-26)9-10-20(28-23)17-7-5-15(2)6-8-17/h5-10H,4,11-12H2,1-3H3,(H,29,30)