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

Systemtic Name: methyl 3-[2-[2-(4-fluorophenyl)sulfanylethanoylimino]-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(4-fluorophenyl)sulfanylacetyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-[(4-fluorophenyl)thio]-1-oxoethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-fluorophenyl)sulfanylacetyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-[(4-fluorophenyl)thio]acetyl]imino-6-methyl-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=CC2=C(C=C1)N(C(=NC(=O)CSC3=CC=C(C=C3)F)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CSC3=CC=C(C=C3)F)S2)CCC(=O)OC

InChI

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