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

Systemtic Name: methyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-o-phenetylpiperazino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)OC

InChI

InChI=1S/C27H31N3O4S/c1-4-34-23-8-6-5-7-22(23)30-15-13-29(14-16-30)17-24(31)28-26-25(27(32)33-3)21(18-35-26)20-11-9-19(2)10-12-20/h5-12,18H,4,13-17H2,1-3H3,(H,28,31)