pentyl 4-oxidanylidene-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate

Systemtic Name: pentyl 4-oxidanylidene-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate Openeye Name: pentyl 4-oxo-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate CAS Name: 4-oxo-2-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidine-7-carboxylic acid pentyl ester IUPAC Name: pentyl 4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylic acid amyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)OC3=C(C2)C(=O)NC(=S)N3

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)OC3=C(C2)C(=O)NC(=S)N3

InChI

InChI=1S/C17H18N2O4S/c1-2-3-4-7-22-16(21)10-5-6-13-11(8-10)9-12-14(20)18-17(24)19-15(12)23-13/h5-6,8H,2-4,7,9H2,1H3,(H2,18,19,20,24)