4-[2-(2-methylpropanoylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(2-methylpropanoylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(2-methylpropanoylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-[(2-methyl-1-oxopropyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-methylpropanoylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(isobutyrylthio)acetyl]amino]benzoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)C(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H15NO4S/c1-8(2)13(18)19-7-11(15)14-10-5-3-9(4-6-10)12(16)17/h3-6,8H,7H2,1-2H3,(H,14,15)(H,16,17)