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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-methylene-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methylene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-keto-2-methylene-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-12-19(22(26)27-2)20(13-5-7-15(23)8-6-13)21-16(24-12)10-14(11-17(21)25)18-4-3-9-28-18/h3-9,14,19-20,24H,1,10-11H2,2H3