ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylimino]-3-methyl-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)CCCSC3=CC=C(C=C3)F)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)C

InChI

InChI=1S/C21H21FN2O3S2/c1-3-27-20(26)14-6-11-17-18(13-14)29-21(24(17)2)23-19(25)5-4-12-28-16-9-7-15(22)8-10-16/h6-11,13H,3-5,12H2,1-2H3