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

Systemtic Name: methyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H23FN2O5S2 MolecularWeight: 478.556823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OC

InChI

InChI=1S/C22H23FN2O5S2/c1-3-15-6-11-18-19(13-15)31-22(25(18)14-21(27)30-2)24-20(26)5-4-12-32(28,29)17-9-7-16(23)8-10-17/h6-11,13H,3-5,12,14H2,1-2H3