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

Systemtic Name: dimethyl (E)-2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate hydroxide Openeye Name: dimethyl (E)-2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate hydroxide CAS Name: (E)-2-(5-ethyl-6-benzo[c][1,2]benzothiazin-5-iumyl)-2-butenedioic acid dimethyl ester hydroxide IUPAC Name: dimethyl (E)-2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate hydroxide Traditional Name: (E)-2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioic acid dimethyl ester hydroxide Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+]1C2=CC=CC=C2C3=CC=CC=C3N1C(=CC(=O)OC)C(=O)OC.[OH-]

Isomeric SMILES

CC[S+]1C2=CC=CC=C2C3=CC=CC=C3N1/C(=C/C(=O)OC)/C(=O)OC.[OH-]

InChI

InChI=1S/C20H20NO4S.H2O/c1-4-26-18-12-8-6-10-15(18)14-9-5-7-11-16(14)21(26)17(20(23)25-3)13-19(22)24-2;/h5-13H,4H2,1-3H3;1H2/q+1;/p-1/b17-13+;