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

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

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OC

InChI

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