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

Systemtic Name: 4-[[2-chloranyl-4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-6-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-chloro-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)Cl)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)Cl)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23ClN2O5S/c1-4-30-18-10-16(20-19(13(3)27)12(2)25-23(32)26-20)9-17(24)21(18)31-11-14-5-7-15(8-6-14)22(28)29/h5-10,20H,4,11H2,1-3H3,(H,28,29)(H2,25,26,32)