2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-2-methyl-valeric acid Formula: C13H18ClNO3S2 MolecularWeight: 335.86992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO3S2/c1-3-6-13(2,12(17)18)15-11(16)8-19-7-9-4-5-10(14)20-9/h4-5H,3,6-8H2,1-2H3,(H,15,16)(H,17,18)