4-chloranyl-3-(2-methylsulfanylethanoylamino)benzoate

Systemtic Name: 4-chloranyl-3-(2-methylsulfanylethanoylamino)benzoate Openeye Name: 4-chloro-3-[(2-methylsulfanylacetyl)amino]benzoate CAS Name: 4-chloro-3-[[2-(methylthio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(2-methylsulfanylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[[2-(methylthio)acetyl]amino]benzoate Formula: C10H9ClNO3S- MolecularWeight: 258.70136

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

Isomeric SMILES

CSCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

InChI

InChI=1S/C10H10ClNO3S/c1-16-5-9(13)12-8-4-6(10(14)15)2-3-7(8)11/h2-4H,5H2,1H3,(H,12,13)(H,14,15)/p-1