[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-13-4-2-3-5-15(13)19(24)22-10-8-14(9-11-22)20(25)26-12-16(23)17-6-7-18(21)27-17/h2-7,14H,8-12H2,1H3