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

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H23FN2O7S2 MolecularWeight: 522.566323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN2O7S2/c1-3-33-22(29)15-6-11-18-19(13-15)34-23(26(18)14-21(28)32-2)25-20(27)5-4-12-35(30,31)17-9-7-16(24)8-10-17/h6-11,13H,3-5,12,14H2,1-2H3