methyl 2-[6-methylsulfonyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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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)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S3/c1-27-19(24)13-22-16-9-8-15(30(2,25)26)12-17(16)29-20(22)21-18(23)10-11-28-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3