methyl 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-10(2)15(16(19)20-5)17-14(18)9-21-13-8-11(3)6-7-12(13)4/h6-8,10,15H,9H2,1-5H3,(H,17,18)