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

Systemtic Name: methyl (2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C19H19FN2O5S2 MolecularWeight: 438.492963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O5S2/c1-3-27-11-10-22-16-9-4-13(18(23)26-2)12-17(16)28-19(22)21-29(24,25)15-7-5-14(20)6-8-15/h4-9,12H,3,10-11H2,1-2H3/b21-19-