4-methoxy-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid Formula: C16H14N2O5S3 MolecularWeight: 410.48776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C16H14N2O5S3/c1-23-12-6-3-9(15(19)20)7-14(12)26(21,22)18-10-4-5-11-13(8-10)25-16(17-11)24-2/h3-8,18H,1-2H3,(H,19,20)