O4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC=CC=C1SCC#N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=CC=C1SCC#N

InChI

InChI=1S/C16H16N2O5S/c1-2-22-15(20)7-8-16(21)23-11-14(19)18-12-5-3-4-6-13(12)24-10-9-17/h3-8H,2,10-11H2,1H3,(H,18,19)/b8-7+