[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H21N3O6S2/c1-13(23)21-14-7-9-15(10-8-14)30(26,27)20-11-19(25)28-12-18(24)22-16-5-3-4-6-17(16)29-2/h3-10,20H,11-12H2,1-2H3,(H,21,23)(H,22,24)