2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(1-adamantyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(1-adamantyl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C19H21NO4S/c21-17(19-8-12-5-13(9-19)7-14(6-12)10-19)11-20-18(22)15-3-1-2-4-16(15)25(20,23)24/h1-4,12-14H,5-11H2