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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[(4-keto-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-2-28-17-8-6-15(7-9-17)18-12-29-20-19(18)21(25)24(13-23-20)11-14-4-3-5-16(10-14)22(26)27/h3-10,12-13H,2,11H2,1H3,(H,26,27)