5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C22H15N3O5S-2 MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-2-30-16-5-3-12(4-6-16)17-10-31-20-18(17)19(23-11-24-20)25-15-8-13(21(26)27)7-14(9-15)22(28)29/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)/p-2