[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O4S/c1-3-16-20(14(2)27-23-16)21(25)26-13-19(24)22-17-11-7-8-12-18(17)28-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,22,24)