methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-methylsulfonyl-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-mesyl-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H18N2O6S3 MolecularWeight: 454.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C18H18N2O6S3/c1-12-4-6-13(7-5-12)29(24,25)19-18-20(11-17(21)26-2)15-9-8-14(28(3,22)23)10-16(15)27-18/h4-10H,11H2,1-3H3/b19-18-