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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H22N2O3S MolecularWeight: 454.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H22N2O3S/c1-18-16-21(19(2)28(18)20-10-4-3-5-11-20)27(31)32-17-26(30)29-22-12-6-8-14-24(22)33-25-15-9-7-13-23(25)29/h3-16H,17H2,1-2H3