1-[(4R,5R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone

Systemtic Name: 1-[(4R,5R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Openeye Name: 1-[(4R,5R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone CAS Name: 1-[(4R,5R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone IUPAC Name: 1-[(4R,5R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Traditional Name: 1-[(4R,5R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)C)Br)O

InChI

InChI=1S/C15H17BrN2O3S/c1-4-21-11-6-9(5-10(16)14(11)20)13-12(8(3)19)7(2)17-15(22)18-13/h5-6,12-13,20H,2,4H2,1,3H3,(H2,17,18,22)/t12-,13+/m1/s1