dimethyl (E)-2-(5-methylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(5-methylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(5-methylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate CAS Name: (E)-2-(5-methyl-6-benzo[c][1,2]benzothiazin-5-iumyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(5-methylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate Traditional Name: (E)-2-(5-methylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioic acid dimethyl ester Formula: C19H18NO4S+ MolecularWeight: 356.41552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C2=CC=CC=C2C3=CC=CC=C3[S+]1C

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1C2=CC=CC=C2C3=CC=CC=C3[S+]1C

InChI

InChI=1S/C19H18NO4S/c1-23-18(21)12-16(19(22)24-2)20-15-10-6-4-8-13(15)14-9-5-7-11-17(14)25(20)3/h4-12H,1-3H3/q+1/b16-12+