ethyl 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-hydroxyethyl)piperazino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3CCN(CC3)CCO

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3CCN(CC3)CCO

InChI

InChI=1S/C22H29N3O4S/c1-3-29-22(28)20-18(17-6-4-16(2)5-7-17)15-30-21(20)23-19(27)14-25-10-8-24(9-11-25)12-13-26/h4-7,15,26H,3,8-14H2,1-2H3,(H,23,27)