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

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=C(SN=N1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21N3O3S/c1-4-16-19(28-24-23-16)21(26)27-18(15-8-6-5-7-9-15)20(25)22-17-12-13(2)10-11-14(17)3/h5-12,18H,4H2,1-3H3,(H,22,25)/t18-/m1/s1