dimethyl 5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N2O6S3 MolecularWeight: 452.52444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6S3/c1-25-16(21)10-6-11(17(22)26-2)8-13(7-10)29(23,24)20-12-4-5-14-15(9-12)28-18(19-14)27-3/h4-9,20H,1-3H3