methyl 2-methylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: methyl 2-methylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: methyl 2-methylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-(methylthio)-3-imidazo[2,1-a]isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-(methylthio)imidaz[2,1-a]isoquinoline-3-carboxylic acid methyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC

Isomeric SMILES

COC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC

InChI

InChI=1S/C14H12N2O2S/c1-18-14(17)11-13(19-2)15-12-10-6-4-3-5-9(10)7-8-16(11)12/h3-8H,1-2H3