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

Systemtic Name: ethyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[(2-pyrimidinylthio)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(2-pyrimidylthio)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-3-23-17(22)16-12(2)13-7-4-5-8-14(13)21-15(16)11-24-18-19-9-6-10-20-18/h4-10H,3,11H2,1-2H3