2-[2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]amino]ethyl]thio]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=CC=CC=C2C(=O)O

InChI

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