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

Systemtic Name: methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H13FN2O4S2 MolecularWeight: 380.413823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN\1C2=CC=CC=C2S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13FN2O4S2/c1-23-15(20)10-19-13-4-2-3-5-14(13)24-16(19)18-25(21,22)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3/b18-16-