2-[[6-[(3-oxidanyl-1-adamantyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(3-oxidanyl-1-adamantyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(3-hydroxyadamantane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(3-hydroxy-1-adamantyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(3-hydroxyadamantane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(3-hydroxyadamantane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O4S2/c1-13(25)28-4-5-29-20-24-17-3-2-16(7-18(17)30-20)23-19(26)21-8-14-6-15(9-21)11-22(27,10-14)12-21/h2-3,7,14-15,27H,4-6,8-12H2,1H3,(H,23,26)