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

Systemtic Name: ethyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(benzofuran-2-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-benzofuran-2-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OCC

InChI

InChI=1S/C22H20N2O4S/c1-3-14-9-10-16-19(11-14)29-22(24(16)13-20(25)27-4-2)23-21(26)18-12-15-7-5-6-8-17(15)28-18/h5-12H,3-4,13H2,1-2H3