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

Systemtic Name: 2-[2-(butanoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(butanoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-(1-oxobutylamino)phenyl]thio]acetic acid IUPAC Name: 2-[2-(butanoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[(2-butyramidophenyl)thio]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC=C1SCC(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=CC=C1SCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-2-5-11(14)13-9-6-3-4-7-10(9)17-8-12(15)16/h3-4,6-7H,2,5,8H2,1H3,(H,13,14)(H,15,16)