ethyl 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-methoxy-2-oxo-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-methoxy-2-oxoethyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxy-2-oxoethyl)sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(2-keto-2-methoxy-ethyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4S/c1-3-22-16(20)12-9-17-14(11-7-5-4-6-8-11)18-15(12)23-10-13(19)21-2/h4-9H,3,10H2,1-2H3