[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C

InChI

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