4-[2-(butanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(butanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(butanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-(1-oxobutylamino)phenyl]thio]butanoic acid IUPAC Name: 4-[2-(butanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[(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=C1SCCCC(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-2-6-13(16)15-11-7-3-4-8-12(11)19-10-5-9-14(17)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)(H,17,18)