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

Systemtic Name: 4-[2-(2-methylbutanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(2-methylbutanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(2-methyl-1-oxobutyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(2-methylbutanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(2-methylbutanoylamino)phenyl]thio]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CCC(C)C(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-11(2)15(19)16-12-7-4-5-8-13(12)20-10-6-9-14(17)18/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,19)(H,17,18)