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

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-mesylphenyl)acetyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O6S2/c1-28-11-10-23-17-9-6-15(20(25)29-2)13-18(17)30-21(23)22-19(24)12-14-4-7-16(8-5-14)31(3,26)27/h4-9,13H,10-12H2,1-3H3