4-[[4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C(=O)C

InChI

InChI=1S/C22H22N2O5S/c1-12-19(13(2)25)20(24-22(30)23-12)16-8-9-17(18(10-16)28-3)29-11-14-4-6-15(7-5-14)21(26)27/h4-10,20H,11H2,1-3H3,(H,26,27)(H2,23,24,30)