methyl 2-(2-phenethylsulfanylethanoylamino)ethanoate

Systemtic Name: methyl 2-(2-phenethylsulfanylethanoylamino)ethanoate Openeye Name: methyl 2-[(2-phenethylsulfanylacetyl)amino]acetate CAS Name: 2-[[1-oxo-2-(phenethylthio)ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-phenethylsulfanylacetyl)amino]acetate Traditional Name: 2-[[2-(phenethylthio)acetyl]amino]acetic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CNC(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-17-13(16)9-14-12(15)10-18-8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)