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

Systemtic Name: ethyl 4-cyano-5-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C33H30N4O6S2 MolecularWeight: 642.7445

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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)OC)OC)OC)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)OC)OC)OC)C#N)C#N)C

InChI

InChI=1S/C33H30N4O6S2/c1-6-43-33(39)30-19(2)23(17-34)32(45-30)37-28(38)12-13-44-31-24(18-35)22(16-25(36-31)20-10-8-7-9-11-20)21-14-26(40-3)29(42-5)27(15-21)41-4/h7-11,14-16H,6,12-13H2,1-5H3,(H,37,38)