2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[5-[(methylthio)methyl]-2-furoyl]amino]benzoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H13NO4S/c1-20-8-9-6-7-12(19-9)13(16)15-11-5-3-2-4-10(11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)