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

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-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=C(C=CC(=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-4-15-19(29-24-23-15)21(26)28-18(14-8-6-5-7-9-14)20(25)22-16-12-13(2)10-11-17(16)27-3/h5-12,18H,4H2,1-3H3,(H,22,25)/t18-/m0/s1