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

Systemtic Name: methyl 3-[2-(2-fluorophenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2-fluorobenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2-fluorophenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-fluorobenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-fluorobenzoyl)imino-4,7-dimethoxy-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=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC=C3F)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC=C3F)N2CCC(=O)OC

InChI

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