(2-azanyl-2-oxidanylidene-ethyl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N)OC

InChI

InChI=1S/C19H20N2O6S/c1-25-14-8-7-12(9-15(14)26-2)21-18(23)11-28-16-6-4-3-5-13(16)19(24)27-10-17(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)