[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)CC

InChI

InChI=1S/C20H22N2O3S2/c1-3-7-16-14(4-2)12-18(27-16)20(24)25-13-19(23)22-15-8-5-6-9-17(15)26-11-10-21/h5-6,8-9,12H,3-4,7,11,13H2,1-2H3,(H,22,23)