methyl 2-[2-(4-fluorophenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-fluorobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-fluorobenzoyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15FN2O5S2 MolecularWeight: 422.450503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O5S2/c1-26-16(22)10-21-14-8-7-13(28(2,24)25)9-15(14)27-18(21)20-17(23)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3