ethyl 2-(2,4-dinitrophenyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(2,4-dinitrophenyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-(2,4-dinitrophenyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-[(2,4-dinitrophenyl)thio]-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,4-dinitrophenyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-[(2,4-dinitrophenyl)thio]imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C20H14N4O6S MolecularWeight: 438.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O6S/c1-2-30-20(25)17-19(21-18-14-6-4-3-5-12(14)9-10-22(17)18)31-16-8-7-13(23(26)27)11-15(16)24(28)29/h3-11H,2H2,1H3