methyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dimethoxybenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,3-dimethoxyphenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dimethoxybenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-fluoro-2-o-veratroylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C20H19FN2O5S MolecularWeight: 418.438663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OC

InChI

InChI=1S/C20H19FN2O5S/c1-26-15-6-4-5-13(18(15)28-3)19(25)22-20-23(10-9-17(24)27-2)14-8-7-12(21)11-16(14)29-20/h4-8,11H,9-10H2,1-3H3