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

Systemtic Name: methyl 2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C13H18ClNO3S2 MolecularWeight: 335.86992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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