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

Systemtic Name: methyl 3-methyl-2-[2-(phenylsulfonyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(benzenesulfonyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(benzenesulfonyl)-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzenesulfonyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-besylacetyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S2/c1-20-14-9-8-12(17(22)25-2)10-15(14)26-18(20)19-16(21)11-27(23,24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3