ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CC#C

InChI

InChI=1S/C22H18N2O5S/c1-3-11-24-15-10-9-14(21(26)27-4-2)12-19(15)30-22(24)23-20(25)18-13-28-16-7-5-6-8-17(16)29-18/h1,5-10,12,18H,4,11,13H2,2H3