2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 2-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CSC

InChI

InChI=1S/C13H17NO3S/c1-3-11(13(16)17)14-12(15)10-6-4-5-9(7-10)8-18-2/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)