methyl 3-phenothiazin-10-ylcarbonylpyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: methyl 3-phenothiazin-10-ylcarbonylpyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: methyl 3-(phenothiazine-10-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 3-[oxo(10-phenothiazinyl)methyl]-1-pyrrolo[2,1-a]isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(phenothiazine-10-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 3-(phenothiazine-10-carbonyl)pyrrol[2,1-a]isoquinoline-1-carboxylic acid methyl ester Formula: C27H18N2O3S MolecularWeight: 450.50842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C27H18N2O3S/c1-32-27(31)19-16-22(28-15-14-17-8-2-3-9-18(17)25(19)28)26(30)29-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)29/h2-16H,1H3