[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-2-6-19(16-7-4-3-5-8-16)23-20(24)15-26-21(25)13-14-27-18-11-9-17(22)10-12-18/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,23,24)/t19-/m1/s1