ethyl 3-methyl-5-[2-(4-phenethylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-phenethylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(4-phenethylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-phenethyl-1-piperazinyl)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-phenethylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(4-phenethylpiperazino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3S/c1-3-28-22(27)21-17(2)15-20(29-21)23-19(26)16-25-13-11-24(12-14-25)10-9-18-7-5-4-6-8-18/h4-8,15H,3,9-14,16H2,1-2H3,(H,23,26)