1,3-benzothiazol-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H28N2O3S2/c30-24(29-27-12-17-9-18(13-27)11-19(10-17)14-27)16-33-22-7-3-1-5-20(22)26(31)32-15-25-28-21-6-2-4-8-23(21)34-25/h1-8,17-19H,9-16H2,(H,29,30)