3-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[(2-isopropylsulfanylacetyl)amino]benzoic acid CAS Name: 3-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(isopropylthio)acetyl]amino]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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