methyl 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[3-(4-hydroxyphenyl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCC1=CC=C(C=C1)O

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C15H21NO4S/c1-20-15(19)13(9-10-21-2)16-14(18)8-5-11-3-6-12(17)7-4-11/h3-4,6-7,13,17H,5,8-10H2,1-2H3,(H,16,18)