propan-2-yl 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: propan-2-yl 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: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S/c1-13(2)31-25(28)22-14(3)26-17-9-16(21-5-4-8-32-21)10-18(27)24(17)23(22)15-6-7-19-20(11-15)30-12-29-19/h4-8,11,13,16,22-23,26H,3,9-10,12H2,1-2H3