[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S/c1-22(15-24,16-9-10-16)26-19(27)14-29-21(28)23(11-5-2-6-12-23)13-20-25-17-7-3-4-8-18(17)30-20/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,26,27)