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

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid CAS Name: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-(5-carbethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-6-ethoxy-phenoxy]acetic acid Formula: C18H21BrN2O6S MolecularWeight: 473.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)OCC(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)OCC(=O)O

InChI

InChI=1S/C18H21BrN2O6S/c1-4-25-12-7-10(6-11(19)16(12)27-8-13(22)23)15-14(17(24)26-5-2)9(3)20-18(28)21-15/h6-7,15H,4-5,8H2,1-3H3,(H,22,23)(H2,20,21,28)