ethyl 2-(1-benzofuran-2-ylcarbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1-benzofuran-2-ylcarbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(benzofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-benzofuranyl(oxo)methyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzofuran-2-carbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(benzofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC=C

InChI

InChI=1S/C22H18N2O4S/c1-3-11-24-16-10-9-15(21(26)27-4-2)13-19(16)29-22(24)23-20(25)18-12-14-7-5-6-8-17(14)28-18/h3,5-10,12-13H,1,4,11H2,2H3