[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H26N2O3S/c1-24(11-19-23-17-4-2-3-5-18(17)28-19)20(25)12-27-22(26)21-15-7-13-6-14(9-15)10-16(21)8-13/h2-5,13-16,21H,6-12H2,1H3