[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)OC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C17H16BrNO3S/c1-12(17(21)19-14-7-5-6-13(18)10-14)22-16(20)11-23-15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,21)/t12-/m1/s1