[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-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=CC=C2)Br

Isomeric SMILES

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

InChI

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