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

Systemtic Name: dimethyl 2-(5-propan-2-ylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate Openeye Name: dimethyl 2-(5-isopropylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate CAS Name: 2-(5-propan-2-yl-6-benzo[c][1,2]benzothiazin-5-iumyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-propan-2-ylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioate Traditional Name: 2-(5-isopropylbenzo[c][1,2]benzothiazin-5-ium-6-yl)but-2-enedioic acid dimethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-14(2)27-19-12-8-6-10-16(19)15-9-5-7-11-17(15)22(27)18(21(24)26-4)13-20(23)25-3/h5-12,14H,1-4H3