(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) pyridine-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) pyridine-4-carboxylate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H18N2O3S/c1-2-18(27-22(26)15-11-13-23-14-12-15)21(25)24-16-7-3-5-9-19(16)28-20-10-6-4-8-17(20)24/h3-14,18H,2H2,1H3