3,5-bis(chloranyl)-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3,5-dichloro-2-[(2-isopropylsulfanylacetyl)amino]benzoic acid CAS Name: 3,5-dichloro-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-(isopropylthio)acetyl]amino]benzoic acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)SCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO3S/c1-6(2)19-5-10(16)15-11-8(12(17)18)3-7(13)4-9(11)14/h3-4,6H,5H2,1-2H3,(H,15,16)(H,17,18)