[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H20ClNO3S MolecularWeight: 329.8422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(C)SC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC(C)C)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H20ClNO3S/c1-10(2)8-17-14(18)9-20-15(19)11(3)21-13-6-4-12(16)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)/t11-/m0/s1