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

Systemtic Name: ethyl 3-ethyl-2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-(4-mesylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O5S2/c1-4-23-17-11-8-15(20(25)28-5-2)13-18(17)29-21(23)22-19(24)12-14-6-9-16(10-7-14)30(3,26)27/h6-11,13H,4-5,12H2,1-3H3