methyl 3-[6-fluoranyl-2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-fluoranyl-2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-fluoro-2-[2-(p-tolylsulfanyl)acetyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-fluoro-2-[2-[(4-methylphenyl)thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-fluoro-2-[2-(4-methylphenyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-fluoro-2-[2-(p-tolylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OC

InChI

InChI=1S/C20H19FN2O3S2/c1-13-3-6-15(7-4-13)27-12-18(24)22-20-23(10-9-19(25)26-2)16-8-5-14(21)11-17(16)28-20/h3-8,11H,9-10,12H2,1-2H3