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

Systemtic Name: ethyl 3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-acetylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-acetylphenyl)piperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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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)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H29N3O4S/c1-3-34-27(33)26-23(17-24(35-26)21-7-5-4-6-8-21)28-25(32)18-29-13-15-30(16-14-29)22-11-9-20(10-12-22)19(2)31/h4-12,17H,3,13-16,18H2,1-2H3,(H,28,32)