[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C20H19NO6S/c1-28(25,26)12-13-3-2-4-16(9-13)20(24)27-11-18(22)15-5-7-17-14(10-15)6-8-19(23)21-17/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,21,23)