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

Systemtic Name: methyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-o-phenetylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-3-33-22-12-8-7-11-21(22)29-15-13-28(14-16-29)17-23(30)27-25-24(26(31)32-2)20(18-34-25)19-9-5-4-6-10-19/h4-12,18H,3,13-17H2,1-2H3,(H,27,30)