[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)OC

InChI

InChI=1S/C21H21ClN2O5S/c1-13(2)29-20-15(22)10-14(11-17(20)27-3)21(26)28-12-19(25)24-16-6-4-5-7-18(16)30-9-8-23/h4-7,10-11,13H,9,12H2,1-3H3,(H,24,25)