methyl (2E)-1-methanoyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-propylidene-quinoline-6-carboxylate

Systemtic Name: methyl (2E)-1-methanoyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-propylidene-quinoline-6-carboxylate Openeye Name: methyl (2E)-1-formyl-4-oxo-2-propylidene-3-(p-tolylsulfonyl)quinoline-6-carboxylate CAS Name: (2E)-1-formyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-propylidene-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl (2E)-1-formyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-propylidenequinoline-6-carboxylate Traditional Name: (2E)-1-formyl-4-keto-2-propylidene-3-tosyl-quinoline-6-carboxylic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(=O)C2=C(N1C=O)C=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC/C=C/1\C(C(=O)C2=C(N1C=O)C=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO6S/c1-4-5-19-21(30(27,28)16-9-6-14(2)7-10-16)20(25)17-12-15(22(26)29-3)8-11-18(17)23(19)13-24/h5-13,21H,4H2,1-3H3/b19-5+