(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H20N2O4S/c1-13-21(15(3)26)14(2)24-22(13)23(28)29-12-20(27)25-16-8-4-6-10-18(16)30-19-11-7-5-9-17(19)25/h4-11,24H,12H2,1-3H3