[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)Br

InChI

InChI=1S/C17H16BrNO4S/c1-22-15-7-6-11(8-14(15)18)17(21)23-10-16(20)19-12-4-3-5-13(9-12)24-2/h3-9H,10H2,1-2H3,(H,19,20)