ethyl 6-butyl-4-oxidanylidene-7-(2-phenoxyethylsulfanyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-butyl-4-oxidanylidene-7-(2-phenoxyethylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-butyl-4-oxo-7-(2-phenoxyethylsulfanyl)-1H-quinoline-3-carboxylate CAS Name: 6-butyl-4-oxo-7-(2-phenoxyethylthio)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-oxo-7-(2-phenoxyethylsulfanyl)-1H-quinoline-3-carboxylate Traditional Name: 6-butyl-4-keto-7-(2-phenoxyethylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)SCCOC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)SCCOC3=CC=CC=C3

InChI

InChI=1S/C24H27NO4S/c1-3-5-9-17-14-19-21(25-16-20(23(19)26)24(27)28-4-2)15-22(17)30-13-12-29-18-10-7-6-8-11-18/h6-8,10-11,14-16H,3-5,9,12-13H2,1-2H3,(H,25,26)