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

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-4-methyl-valeric acid Formula: C13H18ClNO3S2 MolecularWeight: 335.86992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO3S2/c1-8(2)5-10(13(17)18)15-12(16)7-19-6-9-3-4-11(14)20-9/h3-4,8,10H,5-7H2,1-2H3,(H,15,16)(H,17,18)