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

Systemtic Name: ethyl 6-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[2-[4-(2-pyridyl)piperazin-1-yl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-[4-(2-pyridyl)piperazino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H32N4O3S MolecularWeight: 456.60088

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3S/c1-4-31-24(30)21-18-9-8-16(2)15-19(18)32-23(21)26-22(29)17(3)27-11-13-28(14-12-27)20-7-5-6-10-25-20/h5-7,10,16-17H,4,8-9,11-15H2,1-3H3,(H,26,29)