ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-ethyl-1-piperazinyl)-1-oxopropyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-ethylpiperazino)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O3S/c1-4-25-13-15-26(16-14-25)12-11-19(27)24-22-21(23(28)29-5-2)20(17(3)30-22)18-9-7-6-8-10-18/h6-10H,4-5,11-16H2,1-3H3,(H,24,27)