(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H16N2O4S/c1-13(24)14-10-15(22-11-14)21(26)27-12-20(25)23-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)23/h2-11,22H,12H2,1H3