[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C23H26N4O5S MolecularWeight: 470.54134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H26N4O5S/c1-30-18-12-19(31-2)27-22(26-18)25-17(28)14-32-21(29)23(10-6-3-7-11-23)13-20-24-15-8-4-5-9-16(15)33-20/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,25,26,27,28)