ethyl (2S)-2-[2-bromanyl-4-[(4S,5S)-5-ethanoyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-methoxy-phenoxy]propanoate

Systemtic Name: ethyl (2S)-2-[2-bromanyl-4-[(4S,5S)-5-ethanoyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-methoxy-phenoxy]propanoate Openeye Name: ethyl (2S)-2-[4-[(4S,5S)-5-acetyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-2-bromo-6-methoxy-phenoxy]propanoate CAS Name: (2S)-2-[4-[(4S,5S)-5-acetyl-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]-2-bromo-6-methoxyphenoxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-[(4S,5S)-5-acetyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-2-bromo-6-methoxyphenoxy]propanoate Traditional Name: (2S)-2-[4-[(4S,5S)-5-acetyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-2-bromo-6-methoxy-phenoxy]propionic acid ethyl ester Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(C=C(C=C1Br)C2C(C(=C)NC(=S)N2)C(=O)C)OC

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=C(C=C(C=C1Br)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)C)OC

InChI

InChI=1S/C19H23BrN2O5S/c1-6-26-18(24)11(4)27-17-13(20)7-12(8-14(17)25-5)16-15(10(3)23)9(2)21-19(28)22-16/h7-8,11,15-16H,2,6H2,1,3-5H3,(H2,21,22,28)/t11-,15-,16+/m0/s1