3-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-[[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-[3-[(2-methylthiazol-4-yl)methylthio]propanoylamino]-2-thenoic acid Formula: C13H14N2O3S3 MolecularWeight: 342.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S3/c1-8-14-9(7-21-8)6-19-4-3-11(16)15-10-2-5-20-12(10)13(17)18/h2,5,7H,3-4,6H2,1H3,(H,15,16)(H,17,18)