[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C17H16BrNO3S2 MolecularWeight: 426.34784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrNO3S2/c1-23-15-4-2-3-13(9-15)19-16(20)10-22-17(21)11-24-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20)