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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N2O3S/c25-20(23-15-8-2-1-3-9-15)14-27-22(26)17-11-5-4-10-16(17)21-24-18-12-6-7-13-19(18)28-21/h6-7,12-13,15-17H,1-5,8-11,14H2,(H,23,25)/t16-,17-/m0/s1