[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C

InChI

InChI=1S/C22H28N2O3S/c1-5-18-13-20(28-17(18)4)22(26)27-14-21(25)24-11-9-23(10-12-24)19-8-6-7-15(2)16(19)3/h6-8,13H,5,9-12,14H2,1-4H3