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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (1R,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-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-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-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-(carbethoxyamino)-2-keto-ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-2-25-19(24)21-16(22)11-26-18(23)13-8-4-3-7-12(13)17-20-14-9-5-6-10-15(14)27-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,21,22,24)/t12-,13+/m0/s1