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

Systemtic Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: 1-[[3-(methylthio)anilino]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: 1-[[3-(methylthio)phenyl]carbamoyl]nipecotic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C16H22N2O3S/c1-3-21-15(19)12-6-5-9-18(11-12)16(20)17-13-7-4-8-14(10-13)22-2/h4,7-8,10,12H,3,5-6,9,11H2,1-2H3,(H,17,20)