3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]-2-thenoic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O4S2/c1-7-9(8(2)19-15-7)5-20-6-11(16)14-10-3-4-21-12(10)13(17)18/h3-4H,5-6H2,1-2H3,(H,14,16)(H,17,18)