[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C)C

InChI

InChI=1S/C18H18N2O4S/c1-11-12(2)24-13(3)17(11)18(22)23-10-16(21)20-14-6-4-5-7-15(14)25-9-8-19/h4-7H,9-10H2,1-3H3,(H,20,21)