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

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-(5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-6-ethoxy-4-(5-methoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid CAS Name: 2-[2-bromo-6-ethoxy-4-(5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[2-bromo-6-ethoxy-4-(5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-(5-carbomethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-6-ethoxy-phenoxy]acetic acid Formula: C17H19BrN2O6S MolecularWeight: 459.31156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O6S/c1-4-25-11-6-9(5-10(18)15(11)26-7-12(21)22)14-13(16(23)24-3)8(2)19-17(27)20-14/h5-6,14H,4,7H2,1-3H3,(H,21,22)(H2,19,20,27)