methyl 3-methyl-2-(2-phenethylsulfanylethanoylamino)butanoate

Systemtic Name: methyl 3-methyl-2-(2-phenethylsulfanylethanoylamino)butanoate Openeye Name: methyl 3-methyl-2-[(2-phenethylsulfanylacetyl)amino]butanoate CAS Name: 3-methyl-2-[[1-oxo-2-(phenethylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-phenethylsulfanylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[[2-(phenethylthio)acetyl]amino]butyric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-12(2)15(16(19)20-3)17-14(18)11-21-10-9-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3,(H,17,18)