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

Systemtic Name: methyl 2-[[6-[(3-oxidanyl-1-adamantyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(3-hydroxyadamantane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(3-hydroxy-1-adamantyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(3-hydroxyadamantane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(3-hydroxyadamantane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C21H24N2O4S2/c1-27-17(24)10-28-19-23-15-3-2-14(5-16(15)29-19)22-18(25)20-6-12-4-13(7-20)9-21(26,8-12)11-20/h2-3,5,12-13,26H,4,6-11H2,1H3,(H,22,25)