4-methoxy-3-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[2-(3-thienylmethylsulfanyl)ethylsulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[2-(3-thiophenylmethylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[2-(3-thenylthio)ethylsulfamoyl]benzoic acid Formula: C15H17NO5S3 MolecularWeight: 387.49418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCSCC2=CSC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCSCC2=CSC=C2

InChI

InChI=1S/C15H17NO5S3/c1-21-13-3-2-12(15(17)18)8-14(13)24(19,20)16-5-7-23-10-11-4-6-22-9-11/h2-4,6,8-9,16H,5,7,10H2,1H3,(H,17,18)