ethyl 6-butyl-7-octylsulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-butyl-7-octylsulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-butyl-7-octylsulfonyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-butyl-7-octylsulfonyl-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-7-octylsulfonyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-butyl-4-keto-7-octylsulfonyl-1H-quinoline-3-carboxylic acid ethyl ester Formula: C24H35NO5S MolecularWeight: 449.6034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)CCCC

InChI

InChI=1S/C24H35NO5S/c1-4-7-9-10-11-12-14-31(28,29)22-16-21-19(15-18(22)13-8-5-2)23(26)20(17-25-21)24(27)30-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)