3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C23H20N2O4S/c1-3-29-18-9-7-16(8-10-18)19-14(2)30-21-20(19)22(26)25(13-24-21)12-15-5-4-6-17(11-15)23(27)28/h4-11,13H,3,12H2,1-2H3,(H,27,28)