methyl 3-[4,7-dimethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCOC3=CC=CC=C3)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCOC3=CC=CC=C3)N2CCC(=O)OC

InChI

InChI=1S/C22H24N2O6S/c1-27-16-9-10-17(28-2)21-20(16)24(13-11-19(26)29-3)22(31-21)23-18(25)12-14-30-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3