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

Systemtic Name: 2-[4-bromanyl-2-[(4R,5S)-5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(4R,5S)-5-ethoxycarbonyl-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[(4R,5S)-5-ethoxycarbonyl-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(4R,5S)-5-ethoxycarbonyl-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(4R,5S)-5-carbethoxy-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]phenoxy]acetic acid Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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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)/t13-,14+/m1/s1