ethyl 1-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[2-(2-ethoxy-2-oxo-ethyl)sulfanylpyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 1-[2-[(2-ethoxy-2-oxoethyl)thio]-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-ethoxy-2-oxoethyl)sulfanylpyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 1-[2-[(2-ethoxy-2-keto-ethyl)thio]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N4O4S MolecularWeight: 336.36624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)C(=O)OCC

InChI

InChI=1S/C14H16N4O4S/c1-3-21-12(19)9-23-14-15-6-5-11(17-14)18-8-10(7-16-18)13(20)22-4-2/h5-8H,3-4,9H2,1-2H3