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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-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-(dimethylamino)-2-keto-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C(=O)COC(=O)[C@H]1CCCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N2O3S/c1-20(2)16(21)11-23-18(22)13-8-4-3-7-12(13)17-19-14-9-5-6-10-15(14)24-17/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3/t12-,13-/m0/s1