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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2,5-dimethyl-1-(2-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H23N3O3S/c1-18-15-21(19(2)29(18)16-20-9-7-8-14-28-20)27(32)33-17-26(31)30-22-10-3-5-12-24(22)34-25-13-6-4-11-23(25)30/h3-15H,16-17H2,1-2H3