2-[2-(3-phenylpropanoylamino)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(3-phenylpropanoylamino)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(3-phenylpropanoylamino)ethylsulfanyl]acetic acid CAS Name: 2-[2-[(1-oxo-3-phenylpropyl)amino]ethylthio]acetic acid IUPAC Name: 2-[2-(3-phenylpropanoylamino)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(hydrocinnamoylamino)ethylthio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCCSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCCSCC(=O)O

InChI

InChI=1S/C13H17NO3S/c15-12(14-8-9-18-10-13(16)17)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)(H,16,17)