[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4,5-dimethyl-3-thiophenecarboxylic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C21H27N3O4S/c1-13-6-7-14(2)24(13)20-19(15(3)16(4)29-20)21(27)28-12-18(26)23-10-8-22(9-11-23)17(5)25/h6-7H,8-12H2,1-5H3