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

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12-5-3-4-6-16(12)24-11-17(21)23-13(2)18(22)20-15-9-7-14(19)8-10-15/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m1/s1