ethyl 1-[(2-methylsulfanylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-methylsulfanylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[(2-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: 1-[[2-(methylthio)anilino]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[(2-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[[2-(methylthio)phenyl]carbamoyl]nipecotic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=CC=C2SC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=CC=C2SC)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-3-28-21(26)23(16-18-10-5-4-6-11-18)14-9-15-25(17-23)22(27)24-19-12-7-8-13-20(19)29-2/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)