methyl 3-[5,6-dimethoxy-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5,6-dimethoxy-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CCC(=O)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-15-11-14-17(12-16(15)26-2)28-20(22(14)10-9-18(23)27-3)21-19(24)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3