[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-15(16-6-3-2-4-7-16)22-19(23)14-25-20(24)8-5-13-26-18-11-9-17(21)10-12-18/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,22,23)/t15-/m1/s1