methyl 4-(2,5-dimethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-(4-ethylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-5-24-8-10-25(11-9-24)13-19(26)23-21-20(22(27)28-4)18(14-29-21)17-12-15(2)6-7-16(17)3/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,26)