7-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]heptanoic acid

Systemtic Name: 7-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]heptanoic acid Openeye Name: 7-[[2-(2-thienylmethylsulfanyl)acetyl]amino]heptanoic acid CAS Name: 7-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]heptanoic acid IUPAC Name: 7-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]heptanoic acid Traditional Name: 7-[[2-(2-thenylthio)acetyl]amino]enanthic acid Formula: C14H21NO3S2 MolecularWeight: 315.45144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCC(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CSCC(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C14H21NO3S2/c16-13(11-19-10-12-6-5-9-20-12)15-8-4-2-1-3-7-14(17)18/h5-6,9H,1-4,7-8,10-11H2,(H,15,16)(H,17,18)