methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(1,3-dioxoisoindolin-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-phthalimidoacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H15N3O5S MolecularWeight: 433.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C

InChI

InChI=1S/C22H15N3O5S/c1-3-10-24-16-9-8-13(21(29)30-2)11-17(16)31-22(24)23-18(26)12-25-19(27)14-6-4-5-7-15(14)20(25)28/h1,4-9,11H,10,12H2,2H3