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

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl propanoate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]ethyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO3S/c1-2-17(23)25-10-11-26-19-18(13-6-4-3-5-7-13)15-12-14(21)8-9-16(15)22-20(19)24/h3-9,12H,2,10-11H2,1H3,(H,22,24)