2-[2-(butanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[2-(butanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-(butanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-methyl-2-[[2-(1-oxobutylamino)phenyl]thio]propanoic acid IUPAC Name: 2-[2-(butanoylamino)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[(2-butyramidophenyl)thio]-2-methyl-propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-4-7-12(16)15-10-8-5-6-9-11(10)19-14(2,3)13(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H,17,18)