2-methyl-5-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Openeye Name: 2-methyl-5-[2-(3-thienylmethylsulfanyl)ethylsulfamoyl]benzoic acid CAS Name: 2-methyl-5-[2-(3-thiophenylmethylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Traditional Name: 2-methyl-5-[2-(3-thenylthio)ethylsulfamoyl]benzoic acid Formula: C15H17NO4S3 MolecularWeight: 371.49478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CSC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CSC=C2)C(=O)O

InChI

InChI=1S/C15H17NO4S3/c1-11-2-3-13(8-14(11)15(17)18)23(19,20)16-5-7-22-10-12-4-6-21-9-12/h2-4,6,8-9,16H,5,7,10H2,1H3,(H,17,18)