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

Systemtic Name: ethyl (3S)-1-[2-(4-acetamidophenyl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-acetamidophenyl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-acetamidophenyl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4-acetamidophenyl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H24N2O4S/c1-3-24-18(23)14-5-4-10-20(11-14)17(22)12-25-16-8-6-15(7-9-16)19-13(2)21/h6-9,14H,3-5,10-12H2,1-2H3,(H,19,21)/t14-/m0/s1