ethyl 4-(3,4-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[2-(4-ethylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

InChI

InChI=1S/C23H31N3O5S/c1-5-25-9-11-26(12-10-25)14-20(27)24-22-21(23(28)31-6-2)17(15-32-22)16-7-8-18(29-3)19(13-16)30-4/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,24,27)