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

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-fluorophenyl)thio]butanoylimino]-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23FN2O5S3 MolecularWeight: 510.621823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O5S3/c1-3-30-21(27)14-25-18-11-10-17(33(2,28)29)13-19(18)32-22(25)24-20(26)5-4-12-31-16-8-6-15(23)7-9-16/h6-11,13H,3-5,12,14H2,1-2H3