2-[[2-[(4-methylphenyl)sulfanylmethyl]furan-3-yl]carbonylamino]-5-oxidanyl-benzoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)sulfanylmethyl]furan-3-yl]carbonylamino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[[2-(p-tolylsulfanylmethyl)furan-3-carbonyl]amino]benzoic acid CAS Name: 5-hydroxy-2-[[[2-[[(4-methylphenyl)thio]methyl]-3-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[2-[(4-methylphenyl)sulfanylmethyl]furan-3-carbonyl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[[2-[(p-tolylthio)methyl]-3-furoyl]amino]benzoic acid Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H17NO5S/c1-12-2-5-14(6-3-12)27-11-18-15(8-9-26-18)19(23)21-17-7-4-13(22)10-16(17)20(24)25/h2-10,22H,11H2,1H3,(H,21,23)(H,24,25)