methyl 2-[2-[2-(2,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[2-(2,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[2-(2,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[2-[(2,4-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(2,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[2-[(2,4-dimethylphenyl)thio]acetyl]oxyacetyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)CSC1=C(C=C(C=C1)C)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC(=O)CSC1=C(C=C(C=C1)C)C

InChI

InChI=1S/C19H27NO5S/c1-6-13(3)18(19(23)24-5)20-16(21)10-25-17(22)11-26-15-8-7-12(2)9-14(15)4/h7-9,13,18H,6,10-11H2,1-5H3,(H,20,21)