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

Systemtic Name: ethyl 6-butyl-7-octadecylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-butyl-7-octadecylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-butyl-7-(octadecylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-7-octadecylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-butyl-4-keto-7-(stearylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C34H55NO3S MolecularWeight: 557.8704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)NC=C(C2=O)C(=O)OCC)CCCC

InChI

InChI=1S/C34H55NO3S/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-39-32-26-31-29(25-28(32)23-8-5-2)33(36)30(27-35-31)34(37)38-6-3/h25-27H,4-24H2,1-3H3,(H,35,36)