[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C14H14FN3O3S MolecularWeight: 323.342663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FN3O3S/c1-2-11-13(22-18-17-11)14(20)21-8-12(19)16-7-9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,19)