ethyl 8,9-dimethoxy-2-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: ethyl 8,9-dimethoxy-2-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 8,9-dimethoxy-2-(p-tolylazo)-3-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 8,9-dimethoxy-2-(4-methylphenyl)azo-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 8,9-dimethoxy-2-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 8,9-dimethoxy-2-(p-tolylazo)-3-(2-thienyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC(=C(C=C3CCN2C(=C1N=NC4=CC=C(C=C4)C)C5=CC=CS5)OC)OC

Isomeric SMILES

CCOC(=O)C1=C2C3=CC(=C(C=C3CCN2C(=C1N=NC4=CC=C(C=C4)C)C5=CC=CS5)OC)OC

InChI

InChI=1S/C28H27N3O4S/c1-5-35-28(32)24-25(30-29-19-10-8-17(2)9-11-19)27(23-7-6-14-36-23)31-13-12-18-15-21(33-3)22(34-4)16-20(18)26(24)31/h6-11,14-16H,5,12-13H2,1-4H3