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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N2O3S/c1-19-15(21)12-23-17(22)18(9-5-2-6-10-18)11-16-20-13-7-3-4-8-14(13)24-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,21)