[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H18N2O3S/c1-13-10-16(14(2)26-13)20(24)25-12-19(23)17-11-22(9-5-8-21)18-7-4-3-6-15(17)18/h3-4,6-7,10-11H,5,9,12H2,1-2H3