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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (1R,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (1R,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1R,2S)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (1R,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-13(2)11-21-18(23)12-25-20(24)15-8-4-3-7-14(15)19-22-16-9-5-6-10-17(16)26-19/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,21,23)/t14-,15+/m0/s1