ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H21FN2O5S2 MolecularWeight: 452.519543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOCCN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O5S2/c1-3-27-12-11-23-17-10-5-14(19(24)28-4-2)13-18(17)29-20(23)22-30(25,26)16-8-6-15(21)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3/b22-20-