quinolin-8-yl 5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: quinolin-8-yl 5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 8-quinolyl 5-chloro-2-ethylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(ethylthio)-4-pyrimidinecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(ethylthio)pyrimidine-4-carboxylic acid 8-quinolyl ester Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O2S/c1-2-23-16-19-9-11(17)14(20-16)15(21)22-12-7-3-5-10-6-4-8-18-13(10)12/h3-9H,2H2,1H3