methyl 3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]propionic 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)CSCCC(=O)OC)Br

Isomeric SMILES

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

InChI

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