[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-13-4-9-18(27-13)17(23)12-26-20(25)15-3-2-10-22(11-15)19(24)14-5-7-16(21)8-6-14/h4-9,15H,2-3,10-12H2,1H3/t15-/m0/s1