4-methylsulfonyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(2-thienylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-(2-thenylthio)acetyl]amino]butyric acid Formula: C12H17NO5S3 MolecularWeight: 351.46208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSCC1=CC=CS1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSCC1=CC=CS1

InChI

InChI=1S/C12H17NO5S3/c1-21(17,18)6-4-10(12(15)16)13-11(14)8-19-7-9-3-2-5-20-9/h2-3,5,10H,4,6-8H2,1H3,(H,13,14)(H,15,16)