methyl 2-(4-phenylsulfanylbutanoylamino)ethanoate

Systemtic Name: methyl 2-(4-phenylsulfanylbutanoylamino)ethanoate Openeye Name: methyl 2-(4-phenylsulfanylbutanoylamino)acetate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(4-phenylsulfanylbutanoylamino)acetate Traditional Name: 2-[4-(phenylthio)butanoylamino]acetic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCCSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CNC(=O)CCCSC1=CC=CC=C1

InChI

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