dimethyl (4E)-4-[(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)methylidene]pent-2-enedioate

Systemtic Name: dimethyl (4E)-4-[(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)methylidene]pent-2-enedioate Openeye Name: dimethyl (4E)-4-[(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)methylene]pent-2-enedioate CAS Name: (4E)-4-[(5-ethyl-6-benzo[c][1,2]benzothiazin-5-iumyl)methylidene]-2-pentenedioic acid dimethyl ester IUPAC Name: dimethyl (4E)-4-[(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)methylidene]pent-2-enedioate Traditional Name: (4E)-4-[(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)methylene]pent-2-enedioic acid dimethyl ester Formula: C22H22NO4S+ MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO4S/c1-4-28-20-12-8-6-10-18(20)17-9-5-7-11-19(17)23(28)15-16(22(25)27-3)13-14-21(24)26-2/h5-15H,4H2,1-3H3/q+1/b14-13?,16-15+