(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic 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 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic 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:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C21H14N2O4S/c1-11-13-7-6-12-4-2-3-5-14(12)18(13)27-17(11)21(25)26-10-16-22-15-8-9-28-19(15)20(24)23-16/h2-9H,10H2,1H3,(H,22,23,24)