ethyl 2-(phenylmethylsulfanyl)imidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(phenylmethylsulfanyl)imidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-(phenylmethylthio)-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-(benzylthio)imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O2S/c1-2-25-21(24)18-20(26-14-15-8-4-3-5-9-15)22-19-17-11-7-6-10-16(17)12-13-23(18)19/h3-13H,2,14H2,1H3