2-[2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[[2-keto-2-(m-anisidino)ethyl]-methyl-amino]ethyl]thio]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20N2O5S/c1-21(11-17(22)20-13-6-5-7-14(10-13)26-2)18(23)12-27-16-9-4-3-8-15(16)19(24)25/h3-10H,11-12H2,1-2H3,(H,20,22)(H,24,25)