ethyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-phenyl-2-[(2-pyrimidinylthio)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[(2-pyrimidylthio)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C23H19N3O2S MolecularWeight: 401.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c1-2-28-22(27)21-19(15-29-23-24-13-8-14-25-23)26-18-12-7-6-11-17(18)20(21)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3