methyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,3-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-o-veratroylimino-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=CC=CC(=C1OC)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

InChI

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