2-[2-bromanyl-6-ethoxy-4-(5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl)phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-(5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl)phenoxy]ethanoate Openeye Name: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl)phenoxy]acetate CAS Name: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl)phenoxy]acetate IUPAC Name: 2-[2-bromo-6-ethoxy-4-(5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl)phenoxy]acetate Traditional Name: 2-[2-bromo-4-(5-carbethoxy-6-methylene-2-thioxo-hexahydropyrimidin-4-yl)-6-ethoxy-phenoxy]acetate Formula: C18H20BrN2O6S- MolecularWeight: 472.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=S)N2)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/h6-7,14-15H,3-5,8H2,1-2H3,(H,22,23)(H2,20,21,28)/p-1