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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H25N3O3S/c1-15-5-6-17-16(12-15)13-18(28-17)21(26)27-14-20(25)24-10-8-23(9-11-24)19-4-2-3-7-22-19/h2-4,7,13,15H,5-6,8-12,14H2,1H3