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

Systemtic Name: 2-methylbutyl 4-oxidanylidene-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate Openeye Name: 2-methylbutyl 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 2-methylbutyl ester IUPAC Name: 2-methylbutyl 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 2-methylbutyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-3-9(2)8-22-16(21)10-4-5-13-11(6-10)7-12-14(20)18-17(24)19-15(12)23-13/h4-6,9H,3,7-8H2,1-2H3,(H2,18,19,20,24)