ethyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4,5,6-trimethyl-2-pyrimidinyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(4,5,6-trimethylpyrimidin-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-6-26-20(25)19-13(3)16-9-7-8-10-17(16)24-18(19)11-27-21-22-14(4)12(2)15(5)23-21/h7-10H,6,11H2,1-5H3