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

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H28N2O3S/c1-13(22-24-18-5-3-4-6-19(18)29-22)25(2)20(26)12-28-23(27)21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,13-17,21H,7-12H2,1-2H3/t13-,14?,15?,16?,17?,21?/m1/s1