ethyl 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(3-imidazo[1,5-a]pyridinylthio)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-[(imidazo[1,5-a]pyridin-3-ylthio)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=C4N3C=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=C4N3C=CC=C4)C

InChI

InChI=1S/C21H19N3O2S/c1-3-26-20(25)19-14(2)16-9-4-5-10-17(16)23-18(19)13-27-21-22-12-15-8-6-7-11-24(15)21/h4-12H,3,13H2,1-2H3