1,3-benzothiazol-2-ylmethyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OCC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OCC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C22H22N4O2S2/c1-13-14(2)29-21-19(13)20(23-12-24-21)26-9-7-15(8-10-26)22(27)28-11-18-25-16-5-3-4-6-17(16)30-18/h3-6,12,15H,7-11H2,1-2H3