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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C14H14BrN3O3S MolecularWeight: 384.24826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C14H14BrN3O3S/c1-3-11-13(22-18-17-11)14(20)21-7-12(19)16-9-4-5-10(15)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,16,19)