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

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]ethyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3S/c1-13(2)21(25)26-10-11-27-19-18(14-6-4-3-5-7-14)16-12-15(22)8-9-17(16)23-20(19)24/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)