2-(4-chlorophenyl)sulfanylethyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-14(2)19(23-20(24)15-4-8-17(26-3)9-5-15)21(25)27-12-13-28-18-10-6-16(22)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H,23,24)/t19-/m0/s1