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

Systemtic Name: ethyl 3-ethyl-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[4-[(4-fluorophenyl)thio]butanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O3S2/c1-3-25-18-12-7-15(21(27)28-4-2)14-19(18)30-22(25)24-20(26)6-5-13-29-17-10-8-16(23)9-11-17/h7-12,14H,3-6,13H2,1-2H3