ethyl 1-[1-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-[2-[(4-chlorophenyl)thio]anilino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-(4-chlorophenyl)sulfanylanilino]-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C23H27ClN2O3S MolecularWeight: 446.99008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-3-29-23(28)17-12-14-26(15-13-17)16(2)22(27)25-20-6-4-5-7-21(20)30-19-10-8-18(24)9-11-19/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,27)