methyl 4-[(4R)-5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-12(23)16-17(13-6-4-3-5-7-13)21-20(26)22-18(16)14-8-10-15(11-9-14)19(24)25-2/h3-11,18H,1-2H3,(H2,21,22,26)/t18-/m1/s1