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

Systemtic Name: ethyl 2-[2-(4-fluorophenyl)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21FN2O3S2 MolecularWeight: 432.531443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3S2/c1-3-27-20(26)15-6-9-17-18(13-15)29-21(24(17)10-11-28-2)23-19(25)12-14-4-7-16(22)8-5-14/h4-9,13H,3,10-12H2,1-2H3