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

Systemtic Name: ethyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(4-o-phenetylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl 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(=O)OCC

Isomeric SMILES

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

InChI

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