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

Systemtic Name: ethyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-hydroxyethyl)piperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CCO

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CCO

InChI

InChI=1S/C21H27N3O4S/c1-2-28-21(27)20-17(14-18(29-20)16-6-4-3-5-7-16)22-19(26)15-24-10-8-23(9-11-24)12-13-25/h3-7,14,25H,2,8-13,15H2,1H3,(H,22,26)