ethyl 1-[2-(3-aminophenyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-aminophenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-aminophenyl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-aminophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-aminophenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-aminophenyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=CC(=C2)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=CC(=C2)N

InChI

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