3,5-bis(chloranyl)-2-(3-methylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-(3-methylsulfanylpropanoylamino)benzoic acid Openeye Name: 3,5-dichloro-2-(3-methylsulfanylpropanoylamino)benzoic acid CAS Name: 3,5-dichloro-2-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-(3-methylsulfanylpropanoylamino)benzoic acid Traditional Name: 3,5-dichloro-2-[3-(methylthio)propanoylamino]benzoic acid Formula: C11H11Cl2NO3S MolecularWeight: 308.18094

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

Isomeric SMILES

CSCCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C11H11Cl2NO3S/c1-18-3-2-9(15)14-10-7(11(16)17)4-6(12)5-8(10)13/h4-5H,2-3H2,1H3,(H,14,15)(H,16,17)