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

Systemtic Name: methyl 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2,3-dimethylphenyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C26H29N3O3S/c1-18-8-7-11-22(19(18)2)29-14-12-28(13-15-29)16-23(30)27-25-24(26(31)32-3)21(17-33-25)20-9-5-4-6-10-20/h4-11,17H,12-16H2,1-3H3,(H,27,30)