5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanylmethyl]-3-phenyl-furan-2-carboxylic acid

Systemtic Name: 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanylmethyl]-3-phenyl-furan-2-carboxylic acid Openeye Name: 5-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanylmethyl]-3-phenyl-furan-2-carboxylic acid CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)ethylthio]methyl]-3-phenyl-2-furancarboxylic acid IUPAC Name: 5-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanylmethyl]-3-phenylfuran-2-carboxylic acid Traditional Name: 3-phenyl-5-[(2-phthalimidoethylthio)methyl]-2-furoic acid Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=C2)CSCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=C2)CSCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C22H17NO5S/c24-20-16-8-4-5-9-17(16)21(25)23(20)10-11-29-13-15-12-18(19(28-15)22(26)27)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,26,27)