ethyl 6-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-[4-(2-pyrimidyl)piperazino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H31N5O3S/c1-4-31-22(30)19-17-7-6-15(2)14-18(17)32-21(19)26-20(29)16(3)27-10-12-28(13-11-27)23-24-8-5-9-25-23/h5,8-9,15-16H,4,6-7,10-14H2,1-3H3,(H,26,29)