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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

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