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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-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-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-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-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)24-20(27)23-17(25)12-28-19(26)14-9-5-4-8-13(14)18-22-15-10-6-7-11-16(15)29-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,23,24,25,27)/t13-,14-/m0/s1