2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]butanoic acid Openeye Name: 2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]butanoic acid CAS Name: 2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 2-[[2-methyl-5-(methylthio)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=C(C=CC(=C1)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-4-11(13(16)17)14-12(15)10-7-9(18-3)6-5-8(10)2/h5-7,11H,4H2,1-3H3,(H,14,15)(H,16,17)