[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)O

InChI

InChI=1S/C18H16N2O5S/c1-24-12-6-7-13(15(21)10-12)18(23)25-11-17(22)20-14-4-2-3-5-16(14)26-9-8-19/h2-7,10,21H,9,11H2,1H3,(H,20,22)