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

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S3/c1-3-29-21(26)15-24-18-12-11-17(32(2,27)28)14-19(18)31-22(24)23-20(25)10-7-13-30-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3