3-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(2-thienylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(2-thenylthio)acetyl]amino]butyric acid Formula: C11H15NO3S2 MolecularWeight: 273.3717

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSCC1=CC=CS1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSCC1=CC=CS1

InChI

InChI=1S/C11H15NO3S2/c1-8(5-11(14)15)12-10(13)7-16-6-9-3-2-4-17-9/h2-4,8H,5-7H2,1H3,(H,12,13)(H,14,15)