3-methylbut-2-enyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 3-methylbut-2-enyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 3-methylbut-2-enyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid 3-methylbut-2-enyl ester Formula: C11H13ClN2O2S MolecularWeight: 272.75112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=NC(=NC=C1Cl)SC)C

Isomeric SMILES

CC(=CCOC(=O)C1=NC(=NC=C1Cl)SC)C

InChI

InChI=1S/C11H13ClN2O2S/c1-7(2)4-5-16-10(15)9-8(12)6-13-11(14-9)17-3/h4,6H,5H2,1-3H3