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

Systemtic Name: methyl 5-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-5-oxo-pentanoate CAS Name: 5-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-5-oxopentanoate Traditional Name: 5-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-5-keto-valeric acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-28-19(26)9-5-8-18(25)24-11-10-15-16(12-22)21(29-17(15)13-24)23-20(27)14-6-3-2-4-7-14/h2-4,6-7H,5,8-11,13H2,1H3,(H,23,27)