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

Systemtic Name: methyl 2-[6-butyl-2-[(7-methoxy-1-benzofuran-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-(7-methoxybenzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(7-methoxy-2-benzofuranyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(7-methoxy-1-benzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(7-methoxybenzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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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)OC)S2)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-4-5-7-15-10-11-17-20(12-15)32-24(26(17)14-21(27)30-3)25-23(28)19-13-16-8-6-9-18(29-2)22(16)31-19/h6,8-13H,4-5,7,14H2,1-3H3