(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C21H18N2O4S/c1-3-14-20(13(2)27-22-14)21(25)26-12-19(24)23-15-8-4-6-10-17(15)28-18-11-7-5-9-16(18)23/h4-11H,3,12H2,1-2H3