methyl 3-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-9(19-8-7-12(16)18-2)13(17)15-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)/t9-/m1/s1