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

Systemtic Name: ethyl 5-ethyl-2-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[3-methyl-4-(p-tolyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[3-methyl-4-(p-tolyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(C(C2)C)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(C(C2)C)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C23H31N3O3S/c1-5-19-13-20(23(28)29-6-2)22(30-19)24-21(27)15-25-11-12-26(17(4)14-25)18-9-7-16(3)8-10-18/h7-10,13,17H,5-6,11-12,14-15H2,1-4H3,(H,24,27)