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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)CC

InChI

InChI=1S/C20H22N2O3S/c1-3-8-17-15(4-2)13-18(26-17)20(24)25-14-19(23)22(12-11-21)16-9-6-5-7-10-16/h5-7,9-10,13H,3-4,8,12,14H2,1-2H3