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

Systemtic Name: ethyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-butyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(benzofuran-2-carbonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-benzofuran-2-carbonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OCC

InChI

InChI=1S/C24H24N2O4S/c1-3-5-8-16-11-12-18-21(13-16)31-24(26(18)15-22(27)29-4-2)25-23(28)20-14-17-9-6-7-10-19(17)30-20/h6-7,9-14H,3-5,8,15H2,1-2H3