methyl 4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxo-butanoate CAS Name: 4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxobutanoate Traditional Name: 4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-keto-butyric acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-27-18(25)8-7-17(24)23-10-9-14-15(11-21)20(28-16(14)12-23)22-19(26)13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3,(H,22,26)