(4-methoxycarbonyl-2-methylsulfonyl-phenyl) quinoline-2-carboxylate

Systemtic Name: (4-methoxycarbonyl-2-methylsulfonyl-phenyl) quinoline-2-carboxylate Openeye Name: (4-methoxycarbonyl-2-methylsulfonyl-phenyl) quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (4-methoxycarbonyl-2-methylsulfonylphenyl) ester IUPAC Name: (4-methoxycarbonyl-2-methylsulfonylphenyl) quinoline-2-carboxylate Traditional Name: quinaldic acid (4-carbomethoxy-2-mesyl-phenyl) ester Formula: C19H15NO6S MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H15NO6S/c1-25-18(21)13-8-10-16(17(11-13)27(2,23)24)26-19(22)15-9-7-12-5-3-4-6-14(12)20-15/h3-11H,1-2H3