[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H28N2O3S/c25-21(14-27-22(26)16-11-12-19-20(13-16)28-15-23-19)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-13,15,17-18H,1-10,14H2