[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12-3-7-15(8-4-12)20-18(22)13(2)23-17(21)11-24-16-9-5-14(19)6-10-16/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m0/s1