methyl 1-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-29-21(28)22(16-5-3-2-4-6-16)9-12-24(13-10-22)18(26)7-11-25-15-23-19-17(20(25)27)8-14-30-19/h2-6,8,14-15H,7,9-13H2,1H3