4-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methyl-5-methylsulfanyl-benzoyl)amino]butanoic acid CAS Name: 4-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methyl-5-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 4-[[2-methyl-5-(methylthio)benzoyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCCCC(=O)O

InChI

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