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

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[2-(4-mesylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S2/c1-29-19(25)12-23-16-9-6-14(20(26)30-2)11-17(16)31-21(23)22-18(24)10-13-4-7-15(8-5-13)32(3,27)28/h4-9,11H,10,12H2,1-3H3