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

Systemtic Name: ethyl 2-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H32N3O4S+ MolecularWeight: 506.63638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H31N3O4S/c1-4-35-28(34)25-19(2)26(22-8-6-5-7-9-22)36-27(25)29-24(33)18-30-14-16-31(17-15-30)23-12-10-21(11-13-23)20(3)32/h5-13H,4,14-18H2,1-3H3,(H,29,33)/p+1