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

Systemtic Name: ethyl (3S)-1-[(3-methylsulfanylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-(methylthio)anilino]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[[3-(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=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)NC2=CC(=CC=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-3-28-21(26)23(16-18-9-5-4-6-10-18)13-8-14-25(17-23)22(27)24-19-11-7-12-20(15-19)29-2/h4-7,9-12,15H,3,8,13-14,16-17H2,1-2H3,(H,24,27)/t23-/m0/s1