ethyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H17FN2O6S3 MolecularWeight: 472.530783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)S(=O)(=O)C)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O6S3/c1-3-27-17(22)11-21-15-9-8-14(29(2,23)24)10-16(15)28-18(21)20-30(25,26)13-6-4-12(19)5-7-13/h4-10H,3,11H2,1-2H3/b20-18-