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

Systemtic Name: dimethyl 2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate Openeye Name: dimethyl 2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate CAS Name: 2-(5-ethyl-6-benzo[c][1,2]benzothiazin-5-iumyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate Traditional Name: 2-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioic acid dimethyl ester Formula: C20H20NO4S+ MolecularWeight: 370.4421

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO4S/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/q+1