[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c1-15-8-9-19(27-15)18(24)14-26-20(25)21(17-6-4-3-5-7-17)10-12-22(13-11-21)16(2)23/h3-9H,10-14H2,1-2H3