methyl 3-[[3-[2-(7-chloranylquinolin-2-yl)ethyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[[3-[2-(7-chloranylquinolin-2-yl)ethyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]sulfanylpropanoate Openeye Name: methyl 3-[[3-[2-(7-chloro-2-quinolyl)ethyl]phenyl]-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-methyl]sulfanylpropanoate CAS Name: 3-[[[3-[2-(7-chloro-2-quinolinyl)ethyl]phenyl]-[[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate Traditional Name: 3-[[[3-[2-(7-chloro-2-quinolyl)ethyl]phenyl]-[[3-(dimethylamino)-3-keto-propyl]thio]methyl]thio]propionic acid methyl ester Formula: C27H31ClN2O3S2 MolecularWeight: 531.12964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSC(C1=CC=CC(=C1)CCC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)OC

Isomeric SMILES

CN(C)C(=O)CCSC(C1=CC=CC(=C1)CCC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)OC

InChI

InChI=1S/C27H31ClN2O3S2/c1-30(2)25(31)13-15-34-27(35-16-14-26(32)33-3)21-6-4-5-19(17-21)7-11-23-12-9-20-8-10-22(28)18-24(20)29-23/h4-6,8-10,12,17-18,27H,7,11,13-16H2,1-3H3