[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H21N3O3S/c20-10-5-11-21-17(23)12-25-19(24)14-7-2-1-6-13(14)18-22-15-8-3-4-9-16(15)26-18/h3-4,8-9,13-14H,1-2,5-7,11-12H2,(H,21,23)/t13-,14-/m0/s1