(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranylpyridine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranylpyridine-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C20H13ClN2O3S MolecularWeight: 396.84682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C20H13ClN2O3S/c21-18-11-13(9-10-22-18)20(25)26-12-19(24)23-14-5-1-3-7-16(14)27-17-8-4-2-6-15(17)23/h1-11H,12H2