methyl 3-[[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H19NO3S2 MolecularWeight: 361.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H19NO3S2/c1-22-18(21)14-6-3-5-13(9-14)11-24-12-17(20)19-15-7-4-8-16(10-15)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)