2-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[2-[(2-methyl-1-oxopropyl)amino]phenyl]thio]butanoic acid IUPAC Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[2-(isobutyrylamino)phenyl]thio]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)C

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)C

InChI

InChI=1S/C14H19NO3S/c1-4-11(14(17)18)19-12-8-6-5-7-10(12)15-13(16)9(2)3/h5-9,11H,4H2,1-3H3,(H,15,16)(H,17,18)