ethyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(benzofuran-2-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-benzofuran-2-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OCC

InChI

InChI=1S/C22H20N2O5S/c1-3-27-15-9-10-16-19(12-15)30-22(24(16)13-20(25)28-4-2)23-21(26)18-11-14-7-5-6-8-17(14)29-18/h5-12H,3-4,13H2,1-2H3