O2-ethyl O4-methyl 5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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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(=O)OC)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(=O)OC)C

InChI

InChI=1S/C26H25N3O5S2/c1-5-34-26(32)22-16(3)21(25(31)33-4)24(36-22)29-20(30)12-13-35-23-18(14-27)10-11-19(28-23)17-8-6-15(2)7-9-17/h6-11H,5,12-13H2,1-4H3,(H,29,30)