methyl 5-[[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(2-cyanophenyl)sulfanylbenzoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(2-cyanophenyl)sulfanylbenzoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-[(2-cyanophenyl)thio]benzoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C22H17NO5S/c1-14-18(21(24)26-2)11-16(28-14)13-27-22(25)17-8-4-6-10-20(17)29-19-9-5-3-7-15(19)12-23/h3-11H,13H2,1-2H3