ethyl (4R)-6-methyl-2-oxidanylidene-4-[5-(2-phenylethynyl)thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-methyl-2-oxidanylidene-4-[5-(2-phenylethynyl)thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-methyl-2-oxo-4-[5-(2-phenylethynyl)-2-thienyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-2-oxo-4-[5-(2-phenylethynyl)-2-thiophenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-methyl-2-oxo-4-[5-(2-phenylethynyl)thiophen-2-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-[5-(2-phenylethynyl)-2-thienyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)C#CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(S2)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C20H18N2O3S/c1-3-25-19(23)17-13(2)21-20(24)22-18(17)16-12-11-15(26-16)10-9-14-7-5-4-6-8-14/h4-8,11-12,18H,3H2,1-2H3,(H2,21,22,24)/t18-/m0/s1