methyl 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate

Systemtic Name: methyl 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Openeye Name: methyl 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate CAS Name: 3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Traditional Name: 3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid methyl ester Formula: C16H14N2O4S3 MolecularWeight: 394.48836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C16H14N2O4S3/c1-22-15(19)10-4-3-5-12(8-10)25(20,21)18-11-6-7-13-14(9-11)24-16(17-13)23-2/h3-9,18H,1-2H3