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

Systemtic Name: [4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxidanylidene-butyl] ethanoate Openeye Name: [4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxo-butyl] acetate CAS Name: acetic acid [4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxobutyl] ester IUPAC Name: [4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-oxobutyl] acetate Traditional Name: acetic acid [4-(2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-keto-butyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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