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

Systemtic Name: methyl 2-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-(4-bromoanilino)-1-oxopropan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]thio]acetic acid methyl ester Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c1-8(18-7-11(15)17-2)12(16)14-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)