(2-methylquinolin-8-yl) 5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) 5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (2-methyl-8-quinolyl) 5-chloro-2-ethylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(ethylthio)-4-pyrimidinecarboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(ethylthio)pyrimidine-4-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)OC2=CC=CC3=C2N=C(C=C3)C)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)OC2=CC=CC3=C2N=C(C=C3)C)Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-3-24-17-19-9-12(18)15(21-17)16(22)23-13-6-4-5-11-8-7-10(2)20-14(11)13/h4-9H,3H2,1-2H3