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

Systemtic Name: ethyl 2-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-methyl-4-(p-tolyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-methyl-4-(p-tolyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(C(C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(C(C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H31N3O3S/c1-4-33-27(32)25-23(21-8-6-5-7-9-21)18-34-26(25)28-24(31)17-29-14-15-30(20(3)16-29)22-12-10-19(2)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3,(H,28,31)