methyl 2-[(2R)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[(2R)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(1R)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[(1R)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]thio]acetic acid methyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SCC(=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-8-4-5-11(10(14)6-8)15-13(17)9(2)19-7-12(16)18-3/h4-6,9H,7H2,1-3H3,(H,15,17)/t9-/m1/s1