2-[(4-methoxyphenyl)sulfonylsulfanylmethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylsulfanylmethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(4-methoxyphenyl)sulfonylsulfanylmethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[[(4-methoxyphenyl)sulfonylthio]methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(4-methoxyphenyl)sulfonylsulfanylmethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[[(4-methoxyphenyl)sulfonylthio]methyl]-1,2-benzothiazol-3-one Formula: C15H13NO6S3 MolecularWeight: 399.46182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)SCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)SCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C15H13NO6S3/c1-22-11-6-8-12(9-7-11)25(20,21)23-10-16-15(17)13-4-2-3-5-14(13)24(16,18)19/h2-9H,10H2,1H3