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

Systemtic Name: methyl 3-[2-(3-fluorophenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-fluorobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3-fluorophenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-fluorobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-fluorobenzoyl)imino-5,6-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=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC=C3)F)S2)CCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC=C3)F)S2)CCC(=O)OC)OC

InChI

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