methyl 3-methyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-mesylphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S2/c1-21-15-9-6-13(18(23)26-2)11-16(15)27-19(21)20-17(22)10-12-4-7-14(8-5-12)28(3,24)25/h4-9,11H,10H2,1-3H3