4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]butyric acid Formula: C11H14ClNO3S2 MolecularWeight: 307.81676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CSCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)CSCC(=O)NCCCC(=O)O

InChI

InChI=1S/C11H14ClNO3S2/c12-9-4-3-8(18-9)6-17-7-10(14)13-5-1-2-11(15)16/h3-4H,1-2,5-7H2,(H,13,14)(H,15,16)