2-(4-chlorophenyl)sulfanylethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCSC1=CC=C(C=C1)Cl)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCSC1=CC=C(C=C1)Cl)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24ClNO3S/c1-15(2)20(23-19(24)14-16-6-4-3-5-7-16)21(25)26-12-13-27-18-10-8-17(22)9-11-18/h3-11,15,20H,12-14H2,1-2H3,(H,23,24)/t20-/m0/s1