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

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [(1S)-2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCC1=C(SN=N1)C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C15H16ClN3O3S/c1-4-11-13(23-19-18-11)15(21)22-9(3)14(20)17-12-7-10(16)6-5-8(12)2/h5-7,9H,4H2,1-3H3,(H,17,20)/t9-/m0/s1