2-[1,1-bis(oxidanylidene)-2-(4-pent-2-ynoxyphenyl)-3H-1,2-benzothiazol-3-yl]-N-oxidanyl-ethanamide

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2-(4-pent-2-ynoxyphenyl)-3H-1,2-benzothiazol-3-yl]-N-oxidanyl-ethanamide Openeye Name: 2-[1,1-dioxo-2-(4-pent-2-ynoxyphenyl)-3H-1,2-benzothiazol-3-yl]ethanehydroxamic acid CAS Name: 2-[1,1-dioxo-2-(4-pent-2-ynoxyphenyl)-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide IUPAC Name: 2-[1,1-dioxo-2-(4-pent-2-ynoxyphenyl)-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide Traditional Name: 2-[1,1-diketo-2-(4-pent-2-ynoxyphenyl)-3H-1,2-benzothiazol-3-yl]ethanehydroxamic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)N2C(C3=CC=CC=C3S2(=O)=O)CC(=O)NO

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)N2C(C3=CC=CC=C3S2(=O)=O)CC(=O)NO

InChI

InChI=1S/C20H20N2O5S/c1-2-3-6-13-27-16-11-9-15(10-12-16)22-18(14-20(23)21-24)17-7-4-5-8-19(17)28(22,25)26/h4-5,7-12,18,24H,2,13-14H2,1H3,(H,21,23)