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

Systemtic Name: 2-[4-bromanyl-2-[(4R,5S)-5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]phenoxy]ethanoate Openeye Name: 2-[4-bromo-2-[(4R,5S)-5-ethoxycarbonyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[(4R,5S)-5-ethoxycarbonyl-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]phenoxy]acetate IUPAC Name: 2-[4-bromo-2-[(4R,5S)-5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[(4R,5S)-5-carbethoxy-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]phenoxy]acetate Formula: C16H16BrN2O5S- MolecularWeight: 428.27764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=C(C=CC(=C2)Br)OCC(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=C(C=CC(=C2)Br)OCC(=O)[O-]

InChI

InChI=1S/C16H17BrN2O5S/c1-3-23-15(22)13-8(2)18-16(25)19-14(13)10-6-9(17)4-5-11(10)24-7-12(20)21/h4-6,13-14H,2-3,7H2,1H3,(H,20,21)(H2,18,19,25)/p-1/t13-,14+/m1/s1