2-[4-(5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(5-ethoxycarbonyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid CAS Name: 2-[4-(5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Traditional Name: 2-[4-(5-carbethoxy-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-2-27-20(26)17-18(13-6-4-3-5-7-13)22-21(29)23-19(17)14-8-10-15(11-9-14)28-12-16(24)25/h3-11,19H,2,12H2,1H3,(H,24,25)(H2,22,23,29)