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

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-29(27)13-14-4-2-5-16(10-14)20(24)28-12-19(23)21-9-3-6-15-11-17(22(25)26)7-8-18(15)21/h2,4-5,7-8,10-11H,3,6,9,12-13H2,1H3