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

Systemtic Name: 3-[[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H18N2O3S/c1-2-14-6-8-16(9-7-14)18-12-28-20-19(18)21(25)24(13-23-20)11-15-4-3-5-17(10-15)22(26)27/h3-10,12-13H,2,11H2,1H3,(H,26,27)