[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H15N5O3S MolecularWeight: 369.3977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C(C#N)C3=NC(=CS3)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)[C@H](C#N)C3=NC(=CS3)C)N=N1

InChI

InChI=1S/C17H15N5O3S/c1-3-22-14-5-4-11(6-13(14)20-21-22)17(24)25-8-15(23)12(7-18)16-19-10(2)9-26-16/h4-6,9,12H,3,8H2,1-2H3/t12-/m0/s1