methyl 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: methyl 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 2-(methoxymethyl)-4-oxo-3-(p-tolylsulfonyl)-1H-quinoline-6-carboxylate CAS Name: 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-(methoxymethyl)-3-tosyl-1H-quinoline-6-carboxylic acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)COC

InChI

InChI=1S/C20H19NO6S/c1-12-4-7-14(8-5-12)28(24,25)19-17(11-26-2)21-16-9-6-13(20(23)27-3)10-15(16)18(19)22/h4-10H,11H2,1-3H3,(H,21,22)