methyl 7-methoxy-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-2H-quinoline-3-carboxylate

Systemtic Name: methyl 7-methoxy-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-2H-quinoline-3-carboxylate Openeye Name: methyl 7-methoxy-3-methyl-4-oxo-1-(p-tolylsulfonyl)-2H-quinoline-3-carboxylate CAS Name: 7-methoxy-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxo-2H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxo-2H-quinoline-3-carboxylate Traditional Name: 4-keto-7-methoxy-3-methyl-1-tosyl-2H-quinoline-3-carboxylic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C3=C2C=C(C=C3)OC)(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C3=C2C=C(C=C3)OC)(C)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-13-5-8-15(9-6-13)28(24,25)21-12-20(2,19(23)27-4)18(22)16-10-7-14(26-3)11-17(16)21/h5-11H,12H2,1-4H3