5-chloranyl-2-methoxy-4-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 5-chloro-4-[(2-isopropylsulfanylacetyl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 5-chloro-4-[[2-(isopropylthio)acetyl]amino]-2-methoxy-benzoic acid Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4S/c1-7(2)20-6-12(16)15-10-5-11(19-3)8(13(17)18)4-9(10)14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)