5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 5-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 5-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 5-cyano-2-(2-ethoxy-2-oxoethyl)sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 5-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C16H14N3O4S- MolecularWeight: 344.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=N1)[O-])C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=N1)[O-])C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H15N3O4S/c1-3-23-13(20)9-24-16-18-14(12(8-17)15(21)19-16)10-4-6-11(22-2)7-5-10/h4-7H,3,9H2,1-2H3,(H,18,19,21)/p-1