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methylsulfanyl 2-(3-phenylpropanoylamino)ethanoate

methylsulfanyl 2-(3-phenylpropanoylamino)ethanoate

Systemtic Name:methylsulfanyl 2-(3-phenylpropanoylamino)ethanoate
Openeye Name:methylsulfanyl 2-(3-phenylpropanoylamino)acetate
CAS Name:2-[(1-oxo-3-phenylpropyl)amino]acetic acid (methylthio) ester
IUPAC Name:methylsulfanyl 2-(3-phenylpropanoylamino)acetate
Traditional Name:2-(hydrocinnamoylamino)acetic acid (methylthio) ester
Formula: C12H15NO3S
MolecularWeight: 253.3174
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Descriptors Computed from Structure

Canonical SMILES:

CSOC(=O)CNC(=O)CCC1=CC=CC=C1


Isomeric SMILES

CSOC(=O)CNC(=O)CCC1=CC=CC=C1


InChI

InChI=1S/C12H15NO3S/c1-17-16-12(15)9-13-11(14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)


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