methyl 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoate

Systemtic Name: methyl 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoate Openeye Name: methyl 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoate CAS Name: 3-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoate Traditional Name: 3-methyl-2-[3-(phenylthio)propanoylamino]butyric acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-11(2)14(15(18)19-3)16-13(17)9-10-20-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,16,17)