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

Systemtic Name: 2-[2-(butanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[2-(butanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[2-(1-oxobutylamino)phenyl]thio]butanoic acid IUPAC Name: 2-[2-(butanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[(2-butyramidophenyl)thio]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC=C1SC(CC)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=CC=C1SC(CC)C(=O)O

InChI

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