5-chloranyl-2-methoxy-4-(3-methylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(3-methylsulfanylpropanoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(3-methylsulfanylpropanoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(3-methylsulfanylpropanoylamino)benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[3-(methylthio)propanoylamino]benzoic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCSC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCSC

InChI

InChI=1S/C12H14ClNO4S/c1-18-10-6-9(14-11(15)3-4-19-2)8(13)5-7(10)12(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)