dimethyl (E)-2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)but-2-enedioate CAS Name: (E)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)but-2-enedioate Traditional Name: (E)-2-(1,1-diketo-1,2-benzothiazol-3-yl)but-2-enedioic acid dimethyl ester Formula: C13H11NO6S MolecularWeight: 309.29454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1=NS(=O)(=O)C2=CC=CC=C21)C(=O)OC

Isomeric SMILES

COC(=O)/C=C(\C1=NS(=O)(=O)C2=CC=CC=C21)/C(=O)OC

InChI

InChI=1S/C13H11NO6S/c1-19-11(15)7-9(13(16)20-2)12-8-5-3-4-6-10(8)21(17,18)14-12/h3-7H,1-2H3/b9-7+