[2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[[2-keto-2-(m-anisidino)ethyl]-methyl-amino]ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H22N2O5S/c1-22(12-18(23)21-15-5-4-6-16(11-15)26-2)19(24)13-27-20(25)14-7-9-17(28-3)10-8-14/h4-11H,12-13H2,1-3H3,(H,21,23)