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

Systemtic Name: ethyl 6-butyl-7-octylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-butyl-7-octylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-butyl-7-(octylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-7-octylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-butyl-4-keto-7-(octylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCCCSC1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)CCCC

InChI

InChI=1S/C24H35NO3S/c1-4-7-9-10-11-12-14-29-22-16-21-19(15-18(22)13-8-5-2)23(26)20(17-25-21)24(27)28-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)