[4-(4-cyanophenyl)phenyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C22H15N3O3S/c23-13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)28-20(26)9-11-25-14-24-21-19(22(25)27)10-12-29-21/h1-8,10,12,14H,9,11H2