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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H27FN2O6S2 MolecularWeight: 522.609383

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H27FN2O6S2/c1-3-32-14-13-27-20-12-7-17(23(29)33-4-2)16-21(20)34-24(27)26-22(28)6-5-15-35(30,31)19-10-8-18(25)9-11-19/h7-12,16H,3-6,13-15H2,1-2H3