2-methylsulfanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-methylsulfanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methylsulfanyl-N-(1-oxo-3H-isobenzofuran-5-yl)-1,3-benzothiazole-6-sulfonamide CAS Name: 2-(methylthio)-N-(1-oxo-3H-isobenzofuran-5-yl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methylsulfanyl-N-(1-oxo-3H-2-benzofuran-5-yl)-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(1-ketophthalan-5-yl)-2-(methylthio)-1,3-benzothiazole-6-sulfonamide Formula: C16H12N2O4S3 MolecularWeight: 392.47248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C16H12N2O4S3/c1-23-16-17-13-5-3-11(7-14(13)24-16)25(20,21)18-10-2-4-12-9(6-10)8-22-15(12)19/h2-7,18H,8H2,1H3