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

Systemtic Name: 2-[2-(butanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(butanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-(1-oxobutylamino)phenyl]thio]propanoic acid IUPAC Name: 2-[2-(butanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[(2-butyramidophenyl)thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-6-12(15)14-10-7-4-5-8-11(10)18-9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)(H,16,17)