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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC)Br

InChI

InChI=1S/C17H16BrNO3S/c1-11-3-8-15(14(18)9-11)19-16(20)10-22-17(21)12-4-6-13(23-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)