4-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 4-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCCCC(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCCCC(=O)O

InChI

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