4-methylsulfonyl-2-(2-thiophen-2-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(2-thiophen-2-ylsulfanylethanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(2-thienylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-(2-thienylthio)acetyl]amino]butyric acid Formula: C11H15NO5S3 MolecularWeight: 337.4355

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSC1=CC=CS1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSC1=CC=CS1

InChI

InChI=1S/C11H15NO5S3/c1-20(16,17)6-4-8(11(14)15)12-9(13)7-19-10-3-2-5-18-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13)(H,14,15)