dimethyl 3-phenothiazin-10-ylcarbonyl-1,10b-dihydropyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl 3-phenothiazin-10-ylcarbonyl-1,10b-dihydropyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl 3-(phenothiazine-10-carbonyl)-1,10b-dihydropyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-[oxo(10-phenothiazinyl)methyl]-1,10b-dihydropyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(phenothiazine-10-carbonyl)-1,10b-dihydropyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-(phenothiazine-10-carbonyl)-1,10b-dihydropyrrol[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C29H22N2O5S MolecularWeight: 510.56038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2C3=CC=CC=C3C=CN2C(=C1C(=O)OC)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC(=O)C1C2C3=CC=CC=C3C=CN2C(=C1C(=O)OC)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H22N2O5S/c1-35-28(33)23-24(29(34)36-2)26(30-16-15-17-9-3-4-10-18(17)25(23)30)27(32)31-19-11-5-7-13-21(19)37-22-14-8-6-12-20(22)31/h3-16,23,25H,1-2H3