2-[2-chloranyl-4-[(4R)-5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[2-chloranyl-4-[(4R)-5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-chloro-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-chloro-6-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-chloro-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-chloro-6-methoxy-phenoxy]acetate Formula: C21H18ClN2O5S- MolecularWeight: 445.89602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)Cl)OCC(=O)[O-])OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=C(C(=C2)Cl)OCC(=O)[O-])OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O5S/c1-11(25)17-18(12-6-4-3-5-7-12)23-21(30)24-19(17)13-8-14(22)20(15(9-13)28-2)29-10-16(26)27/h3-9,19H,10H2,1-2H3,(H,26,27)(H2,23,24,30)/p-1/t19-/m1/s1