methyl 3-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]butanoate Openeye Name: methyl 3-methyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]butanoate CAS Name: 3-methyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoate Traditional Name: 3-methyl-2-[[2-(p-tolylthio)acetyl]amino]butyric acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-10(2)14(15(18)19-4)16-13(17)9-20-12-7-5-11(3)6-8-12/h5-8,10,14H,9H2,1-4H3,(H,16,17)