2-(1,3-benzodioxol-5-yl)-8,9-dimethoxy-3-thiophen-2-ylcarbonyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-8,9-dimethoxy-3-thiophen-2-ylcarbonyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-8,9-dimethoxy-3-(thiophene-2-carbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-8,9-dimethoxy-3-[oxo(thiophen-2-yl)methyl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-8,9-dimethoxy-3-(thiophene-2-carbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-8,9-dimethoxy-3-(2-thenoyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-1-carbonitrile Formula: C27H20N2O5S MolecularWeight: 484.5231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(C(=C3C(=O)C4=CC=CS4)C5=CC6=C(C=C5)OCO6)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(C(=C3C(=O)C4=CC=CS4)C5=CC6=C(C=C5)OCO6)C#N)OC

InChI

InChI=1S/C27H20N2O5S/c1-31-20-10-15-7-8-29-25(17(15)12-21(20)32-2)18(13-28)24(26(29)27(30)23-4-3-9-35-23)16-5-6-19-22(11-16)34-14-33-19/h3-6,9-12H,7-8,14H2,1-2H3