methyl 3-ethyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(2-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(2-mesylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H18N2O5S2/c1-4-21-14-10-9-12(18(23)26-2)11-15(14)27-19(21)20-17(22)13-7-5-6-8-16(13)28(3,24)25/h5-11H,4H2,1-3H3