[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C21H21N3O4S/c1-3-15-19(29-24-23-15)21(26)28-18(14-10-6-5-7-11-14)20(25)22-16-12-8-9-13-17(16)27-4-2/h5-13,18H,3-4H2,1-2H3,(H,22,25)