4-methylsulfonyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-[3-(2-thienyl)propanoylamino]butanoic acid CAS Name: 4-methylsulfonyl-2-[(1-oxo-3-thiophen-2-ylpropyl)amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Traditional Name: 4-mesyl-2-[3-(2-thienyl)propanoylamino]butyric acid Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CCC1=CC=CS1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CCC1=CC=CS1

InChI

InChI=1S/C12H17NO5S2/c1-20(17,18)8-6-10(12(15)16)13-11(14)5-4-9-3-2-7-19-9/h2-3,7,10H,4-6,8H2,1H3,(H,13,14)(H,15,16)