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

Systemtic Name: methyl 2-[(2Z)-6-methylsulfonyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H16N2O6S3 MolecularWeight: 440.51374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)S(=O)(=O)C)S/C1=N\S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O6S3/c1-25-16(20)11-19-14-9-8-13(27(2,21)22)10-15(14)26-17(19)18-28(23,24)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b18-17-