methyl 2-[2-(4-fluorophenyl)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-fluorophenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-fluorophenyl)-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-fluorophenyl)acetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)F)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)F)S2)CCSC

InChI

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