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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c1-14(25)15-11-18(23(2)12-15)22(27)28-13-21(26)24-16-7-3-5-9-19(16)29-20-10-6-4-8-17(20)24/h3-12H,13H2,1-2H3