3-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(3-thienylmethylsulfanyl)ethylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(3-thiophenylmethylthio)ethylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(3-thenylthio)ethylsulfamoyl]phenyl]propionic acid Formula: C16H19NO4S3 MolecularWeight: 385.52136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)NCCSCC2=CSC=C2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)NCCSCC2=CSC=C2

InChI

InChI=1S/C16H19NO4S3/c18-16(19)6-3-13-1-4-15(5-2-13)24(20,21)17-8-10-23-12-14-7-9-22-11-14/h1-2,4-5,7,9,11,17H,3,6,8,10,12H2,(H,18,19)