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

Systemtic Name: methyl 3-methyl-2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[(3-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-mesylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S2/c1-20-14-8-7-12(17(22)25-2)10-15(14)26-18(20)19-16(21)11-5-4-6-13(9-11)27(3,23)24/h4-10H,1-3H3