ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-[oxidanidyl(oxidanyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-[oxidanidyl(oxidanyl)amino]benzoate Openeye Name: ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-[hydroxy(oxido)amino]benzoate CAS Name: 4-[[(2-ethoxycarbonylphenyl)thio]methyl]-3-[hydroxy(oxido)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-[hydroxy(oxido)amino]benzoate Traditional Name: 4-[[(2-carbethoxyphenyl)thio]methyl]-3-[hydroxy(oxido)amino]benzoic acid ethyl ester Formula: C19H20NO6S- MolecularWeight: 390.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)OCC)N(O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)OCC)N(O)[O-]

InChI

InChI=1S/C19H20NO6S/c1-3-25-18(21)13-9-10-14(16(11-13)20(23)24)12-27-17-8-6-5-7-15(17)19(22)26-4-2/h5-11,23H,3-4,12H2,1-2H3/q-1