2-[4-bromanyl-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[4-bromanyl-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate Openeye Name: 2-[4-bromo-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate IUPAC Name: 2-[4-bromo-2-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[(4S)-5-carbethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Formula: C16H16BrN2O5S- MolecularWeight: 428.27764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=C(C=CC(=C2)Br)OCC(=O)[O-])C

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/h4-6,14H,3,7H2,1-2H3,(H,20,21)(H2,18,19,25)/p-1/t14-/m0/s1