[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4CCCC4

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4CCCC4

InChI

InChI=1S/C22H28N2O3S/c25-19(23-16-8-2-3-9-16)15-27-21(26)22(12-6-1-7-13-22)14-20-24-17-10-4-5-11-18(17)28-20/h4-5,10-11,16H,1-3,6-9,12-15H2,(H,23,25)