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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H22N2O3S/c1-15-13-18(16(2)25(15)17-11-12-17)24(28)29-14-23(27)26-19-7-3-5-9-21(19)30-22-10-6-4-8-20(22)26/h3-10,13,17H,11-12,14H2,1-2H3