ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(4-hydroxy-3-methoxy-phenyl)-2-methylene-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-2-methylene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methylene-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C24H25NO5S/c1-4-30-24(28)21-13(2)25-16-10-15(20-6-5-9-31-20)11-18(27)23(16)22(21)14-7-8-17(26)19(12-14)29-3/h5-9,12,15,21-22,25-26H,2,4,10-11H2,1,3H3