4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C28H23FN2O4S MolecularWeight: 502.556623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC(=CC=C6)F

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC(=CC=C6)F

InChI

InChI=1S/C28H23FN2O4S/c1-15-25(28(33)31-19-5-2-4-18(29)13-19)26(16-7-8-22-23(12-16)35-14-34-22)27-20(30-15)10-17(11-21(27)32)24-6-3-9-36-24/h2-9,12-13,17,26,30H,10-11,14H2,1H3,(H,31,33)