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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O5S/c1-3-11-25-17-10-9-14(22(30)31-4-2)12-18(17)32-23(25)24-19(27)13-26-20(28)15-7-5-6-8-16(15)21(26)29/h1,5-10,12H,4,11,13H2,2H3