methyl 2-[6-butyl-2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-(7-ethoxybenzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(7-ethoxy-2-benzofuranyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(7-ethoxybenzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(O3)C(=CC=C4)OCC)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(O3)C(=CC=C4)OCC)S2)CC(=O)OC

InChI

InChI=1S/C25H26N2O5S/c1-4-6-8-16-11-12-18-21(13-16)33-25(27(18)15-22(28)30-3)26-24(29)20-14-17-9-7-10-19(31-5-2)23(17)32-20/h7,9-14H,4-6,8,15H2,1-3H3