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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OC

InChI

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