2-methylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate

Systemtic Name: 2-methylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate Openeye Name: 2-methylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate CAS Name: 3-[[oxo-(phenethylamino)methyl]amino]propanoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 3-(phenethylcarbamoylamino)propanoate Traditional Name: 3-(phenethylcarbamoylamino)propionic acid 2-(methylthio)ethyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)CCNC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CSCCOC(=O)CCNC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O3S/c1-21-12-11-20-14(18)8-10-17-15(19)16-9-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,16,17,19)