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

Systemtic Name: 2-[4-(6-methyl-5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(5-benzyloxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid CAS Name: 2-[4-(6-methyl-5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(6-methyl-5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Traditional Name: 2-[4-(5-carbobenzoxy-6-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-13-18(20(26)28-11-14-5-3-2-4-6-14)19(23-21(29)22-13)15-7-9-16(10-8-15)27-12-17(24)25/h2-10,19H,11-12H2,1H3,(H,24,25)(H2,22,23,29)