2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl hexanoate

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl hexanoate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl hexanoate CAS Name: hexanoic acid 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]ethyl ester IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl hexanoate Traditional Name: hexanoic acid 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]ethyl ester Formula: C23H24ClNO3S MolecularWeight: 429.95956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)OCCSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24ClNO3S/c1-2-3-5-10-20(26)28-13-14-29-22-21(16-8-6-4-7-9-16)18-15-17(24)11-12-19(18)25-23(22)27/h4,6-9,11-12,15H,2-3,5,10,13-14H2,1H3,(H,25,27)