methyl (2R)-2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N[C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C16H23NO3S2/c1-11-5-6-13(9-12(11)2)22-10-15(18)17-14(7-8-21-4)16(19)20-3/h5-6,9,14H,7-8,10H2,1-4H3,(H,17,18)/t14-/m1/s1