ethyl 4-(2,4-dimethylphenyl)-2-[2-(4-ethanoylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[2-(4-ethanoylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-1-oxoethyl]amino]-4-(2,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazino)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-5-30-23(29)21-19(18-7-6-15(2)12-16(18)3)14-31-22(21)24-20(28)13-25-8-10-26(11-9-25)17(4)27/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,24,28)