[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: (1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)methyl ester IUPAC Name: (1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-diketo-1,3-dimethyl-2,1-benzothiazol-3-yl)methyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C3=CC=CC=C3N(S2(=O)=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C3=CC=CC=C3N(S2(=O)=O)C)C

InChI

InChI=1S/C17H19NO5S2/c1-13-8-10-14(11-9-13)24(19,20)23-12-17(2)15-6-4-5-7-16(15)18(3)25(17,21)22/h4-11H,12H2,1-3H3