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

Systemtic Name: methyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-butyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-3-4-7-15-10-11-17-20(12-15)30-23(25(17)14-21(26)28-2)24-22(27)19-13-16-8-5-6-9-18(16)29-19/h5-6,8-13H,3-4,7,14H2,1-2H3