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

Systemtic Name: methyl 2-[2-[2-(4-methylsulfanylphenyl)ethanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-methylsulfanylphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-methylsulfanylphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[2-[4-(methylthio)phenyl]acetyl]imino-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)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H20N2O5S3/c1-27-19(24)12-22-16-9-8-15(30(3,25)26)11-17(16)29-20(22)21-18(23)10-13-4-6-14(28-2)7-5-13/h4-9,11H,10,12H2,1-3H3