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

Systemtic Name: butyl 4-oxidanylidene-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-2-3-6-21-15(20)9-4-5-12-10(7-9)8-11-13(19)17-16(23)18-14(11)22-12/h4-5,7H,2-3,6,8H2,1H3,(H2,17,18,19,23)