4-chloranyl-2-(furan-3-ylmethylamino)-5-methylsulfinyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-3-ylmethylamino)-5-methylsulfinyl-benzoic acid Openeye Name: 4-chloro-2-(3-furylmethylamino)-5-methylsulfinyl-benzoic acid CAS Name: 4-chloro-2-(3-furanylmethylamino)-5-methylsulfinylbenzoic acid IUPAC Name: 4-chloro-2-(furan-3-ylmethylamino)-5-methylsulfinylbenzoic acid Traditional Name: 4-chloro-2-(3-furfurylamino)-5-methylsulfinyl-benzoic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=COC=C2)Cl

Isomeric SMILES

CS(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=COC=C2)Cl

InChI

InChI=1S/C13H12ClNO4S/c1-20(18)12-4-9(13(16)17)11(5-10(12)14)15-6-8-2-3-19-7-8/h2-5,7,15H,6H2,1H3,(H,16,17)