5-acetamido-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 5-acetamido-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 5-acetamido-2-[(2-isopropylsulfanylacetyl)amino]benzoic acid CAS Name: 5-acetamido-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 5-acetamido-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 5-acetamido-2-[[2-(isopropylthio)acetyl]amino]benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-8(2)21-7-13(18)16-12-5-4-10(15-9(3)17)6-11(12)14(19)20/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)