ethyl 1-[2-(3-aminophenyl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3-aminophenyl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-aminophenyl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(3-aminophenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-aminophenyl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(3-aminophenyl)thio]acetyl]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)CSC2=CC=CC(=C2)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=CC(=C2)N

InChI

InChI=1S/C16H22N2O3S/c1-2-21-16(20)12-5-4-8-18(10-12)15(19)11-22-14-7-3-6-13(17)9-14/h3,6-7,9,12H,2,4-5,8,10-11,17H2,1H3