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

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[(2-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(4,7-dimethoxy-2-o-anisoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC=C3OC)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC=C3OC)N2CCC(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-26-14-8-6-5-7-13(14)20(25)22-21-23(12-11-17(24)29-4)18-15(27-2)9-10-16(28-3)19(18)30-21/h5-10H,11-12H2,1-4H3