2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-3-methyl-butyric acid Formula: C12H16ClNO3S2 MolecularWeight: 321.84334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO3S2/c1-7(2)11(12(16)17)14-10(15)6-18-5-8-3-4-9(13)19-8/h3-4,7,11H,5-6H2,1-2H3,(H,14,15)(H,16,17)