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

Systemtic Name: methyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-o-phenetylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C22H29N3O4S/c1-5-29-18-9-7-6-8-17(18)25-12-10-24(11-13-25)14-19(26)23-21-20(22(27)28-4)15(2)16(3)30-21/h6-9H,5,10-14H2,1-4H3,(H,23,26)