4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]-methyl-amino]butyric acid Formula: C12H16ClNO3S2 MolecularWeight: 321.84334

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSCC1=CC=C(S1)Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSCC1=CC=C(S1)Cl

InChI

InChI=1S/C12H16ClNO3S2/c1-14(6-2-3-12(16)17)11(15)8-18-7-9-4-5-10(13)19-9/h4-5H,2-3,6-8H2,1H3,(H,16,17)