[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C)OCC

InChI

InChI=1S/C20H23NO7S/c1-4-26-16-11-10-14(12-17(16)27-5-2)21-19(22)13-28-20(23)15-8-6-7-9-18(15)29(3,24)25/h6-12H,4-5,13H2,1-3H3,(H,21,22)