methyl 4-(2-phenylsulfanylethanoylamino)butanoate

Systemtic Name: methyl 4-(2-phenylsulfanylethanoylamino)butanoate Openeye Name: methyl 4-[(2-phenylsulfanylacetyl)amino]butanoate CAS Name: 4-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-phenylsulfanylacetyl)amino]butanoate Traditional Name: 4-[[2-(phenylthio)acetyl]amino]butyric acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=CC=CC=C1

InChI

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