4-[[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H20N2O4S/c1-2-11-29-18-9-7-16(8-10-18)19-13-30-21-20(19)22(26)25(14-24-21)12-15-3-5-17(6-4-15)23(27)28/h3-10,13-14H,2,11-12H2,1H3,(H,27,28)