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

Systemtic Name: ethyl 5-methyl-2-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[3-methyl-4-(p-tolyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[3-methyl-4-(p-tolyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(C(C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(C(C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3O3S/c1-5-28-22(27)19-12-17(4)29-21(19)23-20(26)14-24-10-11-25(16(3)13-24)18-8-6-15(2)7-9-18/h6-9,12,16H,5,10-11,13-14H2,1-4H3,(H,23,26)