methyl 3-[2-(3,5-dimethoxyphenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3,5-dimethoxyphenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3,5-dimethoxybenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dimethoxybenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,5-dimethoxybenzoyl)imino-6-fluoro-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(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OC)OC

InChI

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