methyl 2-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate

Systemtic Name: methyl 2-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate Openeye Name: methyl 2-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate CAS Name: 2-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate Traditional Name: 2-methyl-2-[3-(phenylthio)propanoylamino]valeric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-4-11-16(2,15(19)20-3)17-14(18)10-12-21-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,17,18)