2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methylidene-5-oxidanylidene-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methylidene-5-oxidanylidene-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methylene-5-oxo-4-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 7-(2-chlorophenyl)-2-methylene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methylidene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 7-(2-chlorophenyl)-5-keto-2-methylene-4-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H26ClNO3S2 MolecularWeight: 488.06184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3Cl)NC1=C)C4=CC=CS4

Isomeric SMILES

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3Cl)NC1=C)C4=CC=CS4

InChI

InChI=1S/C25H26ClNO3S2/c1-3-31-12-10-30-25(29)22-15(2)27-19-13-16(17-7-4-5-8-18(17)26)14-20(28)23(19)24(22)21-9-6-11-32-21/h4-9,11,16,22,24,27H,2-3,10,12-14H2,1H3