4-methylsulfanyl-2-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]butanoic acid Openeye Name: 2-[(5-isoxazol-3-yl-2-thienyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[5-(3-isoxazolyl)-2-thiophenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]butanoic acid Traditional Name: 2-[(5-isoxazol-3-yl-2-thienyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C12H14N2O5S3 MolecularWeight: 362.44496

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(S1)C2=NOC=C2

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(S1)C2=NOC=C2

InChI

InChI=1S/C12H14N2O5S3/c1-20-7-5-9(12(15)16)14-22(17,18)11-3-2-10(21-11)8-4-6-19-13-8/h2-4,6,9,14H,5,7H2,1H3,(H,15,16)