[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H26N2O3S/c1-14(2)21-17(23)13-25-19(24)20(10-6-3-7-11-20)12-18-22-15-8-4-5-9-16(15)26-18/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,21,23)