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

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C17H19N3O4S/c1-4-13-15(25-20-19-13)17(23)24-9-14(21)11-5-7-12(8-6-11)18-16(22)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,22)