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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-2-methylene-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methylene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-2-methylene-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21NO5S/c1-12-20(23(26)27-2)21(13-5-6-17-18(10-13)29-11-28-17)22-15(24-12)8-14(9-16(22)25)19-4-3-7-30-19/h3-7,10,14,20-21,24H,1,8-9,11H2,2H3