4-chloranyl-3-(3-methylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-methylsulfanylpropanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3-methylsulfanylpropanoylamino)benzoic acid CAS Name: 4-chloro-3-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(3-methylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-chloro-3-[3-(methylthio)propanoylamino]benzoic acid Formula: C11H12ClNO3S MolecularWeight: 273.73588

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CSCCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C11H12ClNO3S/c1-17-5-4-10(14)13-9-6-7(11(15)16)2-3-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)