2-[4-chloranyl-2-[(4R,5S,6E)-5-ethoxycarbonyl-6-propylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-chloranyl-2-[(4R,5S,6E)-5-ethoxycarbonyl-6-propylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-chloro-2-[(4R,5S,6E)-5-ethoxycarbonyl-6-propylidene-2-thioxo-hexahydropyrimidin-4-yl]-6-methoxy-phenoxy]acetate CAS Name: 2-[4-chloro-2-[(4R,5S,6E)-5-ethoxycarbonyl-6-propylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-methoxyphenoxy]acetate IUPAC Name: 2-[4-chloro-2-[(4R,5S,6E)-5-ethoxycarbonyl-6-propylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-methoxyphenoxy]acetate Traditional Name: 2-[2-[(4R,5S,6E)-5-carbethoxy-6-propylidene-2-thioxo-hexahydropyrimidin-4-yl]-4-chloro-6-methoxy-phenoxy]acetate Formula: C19H22ClN2O6S- MolecularWeight: 441.90578

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CC(=CC(=C2OCC(=O)[O-])OC)Cl)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CC(=CC(=C2OCC(=O)[O-])OC)Cl)C(=O)OCC

InChI

InChI=1S/C19H23ClN2O6S/c1-4-6-12-15(18(25)27-5-2)16(22-19(29)21-12)11-7-10(20)8-13(26-3)17(11)28-9-14(23)24/h6-8,15-16H,4-5,9H2,1-3H3,(H,23,24)(H2,21,22,29)/p-1/b12-6+/t15-,16+/m1/s1