2-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[2-[(3-methyl-1-oxobutyl)amino]phenyl]thio]butanoic acid IUPAC Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[2-(isovalerylamino)phenyl]thio]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)CC(C)C

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)CC(C)C

InChI

InChI=1S/C15H21NO3S/c1-4-12(15(18)19)20-13-8-6-5-7-11(13)16-14(17)9-10(2)3/h5-8,10,12H,4,9H2,1-3H3,(H,16,17)(H,18,19)