9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 9-ethoxy-2-p-phenetyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C21H19N2O3S- MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C(=CC=C4)OCC)C(=N2)[S-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C(=CC=C4)OCC)C(=N2)[S-]

InChI

InChI=1S/C21H20N2O3S/c1-3-24-15-10-8-13(9-11-15)19-22-20-16(21(27)23-19)12-14-6-5-7-17(25-4-2)18(14)26-20/h5-11H,3-4,12H2,1-2H3,(H,22,23,27)/p-1