(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCC(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCC(=O)N4CCCCC4)C

InChI

InChI=1S/C22H23N3O3S2/c1-14-15(2)29-20-19(14)21(24-13-23-20)30-17-9-5-4-8-16(17)22(27)28-12-18(26)25-10-6-3-7-11-25/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3