(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C21H14N2O4S/c24-18(27-11-17-22-15-7-8-28-20(15)21(25)23-17)9-13-10-26-16-6-5-12-3-1-2-4-14(12)19(13)16/h1-8,10H,9,11H2,(H,22,23,25)