[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-11(2)18(24)22-19-17(14-7-4-8-16(14)27-19)20(25)26-10-15(23)12-5-3-6-13(21)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,22,24)