(phenylmethyl) 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C29H25NO5S/c1-17-26(29(32)33-15-18-6-3-2-4-7-18)27(19-9-10-23-24(14-19)35-16-34-23)28-21(30-17)12-20(13-22(28)31)25-8-5-11-36-25/h2-12,14,20,27-28,30H,13,15-16H2,1H3