[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-12-4-2-3-5-15(12)23-11-17(21)22-10-16(20)19-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,20)