(2-oxidanylidenechromen-7-yl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: (2-oxochromen-7-yl) 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 (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 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 (2-ketochromen-7-yl) ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=CC5=C(C=C4)C=CC(=O)O5)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=CC5=C(C=C4)C=CC(=O)O5)C

InChI

InChI=1S/C23H21N3O4S/c1-13-14(2)31-22-20(13)21(24-12-25-22)26-9-7-16(8-10-26)23(28)29-17-5-3-15-4-6-19(27)30-18(15)11-17/h3-6,11-12,16H,7-10H2,1-2H3