methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[3-[(4-fluorophenyl)thio]-1-oxopropyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[3-[(4-fluorophenyl)thio]propanoylimino]-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O3S2/c1-26-19(25)10-12-23-16-4-2-3-5-17(16)28-20(23)22-18(24)11-13-27-15-8-6-14(21)7-9-15/h2-9H,10-13H2,1H3