(5R)-5-cyclopentyl-2-(2-ethoxyethylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4-olate

Systemtic Name: (5R)-5-cyclopentyl-2-(2-ethoxyethylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4-olate Openeye Name: (5R)-5-cyclopentyl-2-(2-ethoxyethylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4-olate CAS Name: (5R)-5-cyclopentyl-2-(2-ethoxyethylthio)-5,6-dihydrobenzo[h]quinazolin-4-olate IUPAC Name: (5R)-5-cyclopentyl-2-(2-ethoxyethylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4-olate Traditional Name: (5R)-5-cyclopentyl-2-(2-ethoxyethylthio)-5,6-dihydrobenzo[h]quinazolin-4-olate Formula: C21H25N2O2S- MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(C(CC3=CC=CC=C32)C4CCCC4)C(=N1)[O-]

Isomeric SMILES

CCOCCSC1=NC2=C([C@H](CC3=CC=CC=C32)C4CCCC4)C(=N1)[O-]

InChI

InChI=1S/C21H26N2O2S/c1-2-25-11-12-26-21-22-19-16-10-6-5-9-15(16)13-17(14-7-3-4-8-14)18(19)20(24)23-21/h5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3,(H,22,23,24)/p-1/t17-/m1/s1