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

Systemtic Name: 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C22H21N2O5S- MolecularWeight: 425.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)[S-]

Isomeric SMILES

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)[S-]

InChI

InChI=1S/C22H22N2O5S/c1-5-28-15-8-6-7-12-9-14-21(29-18(12)15)23-20(24-22(14)30)13-10-16(25-2)19(27-4)17(11-13)26-3/h6-8,10-11H,5,9H2,1-4H3,(H,23,24,30)/p-1