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

Systemtic Name: 4-[methyl-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(2-methyl-5-methylsulfanyl-benzoyl)amino]butanoic acid CAS Name: 4-[methyl-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 4-[methyl-[2-methyl-5-(methylthio)benzoyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10-6-7-11(19-3)9-12(10)14(18)15(2)8-4-5-13(16)17/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)