3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2-chloro-5-methylsulfanyl-benzoyl)amino]butanoic acid CAS Name: 3-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2-chloro-5-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3-[[2-chloro-5-(methylthio)benzoyl]amino]butyric acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3S/c1-7(5-11(15)16)14-12(17)9-6-8(18-2)3-4-10(9)13/h3-4,6-7H,5H2,1-2H3,(H,14,17)(H,15,16)