ethyl 8,9-dimethoxy-2-phenyldiazenyl-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: ethyl 8,9-dimethoxy-2-phenyldiazenyl-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 8,9-dimethoxy-2-phenylazo-3-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 8,9-dimethoxy-2-phenyldiazenyl-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 8,9-dimethoxy-2-phenyldiazenyl-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 8,9-dimethoxy-2-phenylazo-3-(2-thienyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c1-4-34-27(31)23-24(29-28-18-9-6-5-7-10-18)26(22-11-8-14-35-22)30-13-12-17-15-20(32-2)21(33-3)16-19(17)25(23)30/h5-11,14-16H,4,12-13H2,1-3H3