(5S)-5-cyclohexyl-2-(2-ethoxyethylsulfanyl)-5-methyl-6H-benzo[h]quinazolin-4-olate

Systemtic Name: (5S)-5-cyclohexyl-2-(2-ethoxyethylsulfanyl)-5-methyl-6H-benzo[h]quinazolin-4-olate Openeye Name: (5S)-5-cyclohexyl-2-(2-ethoxyethylsulfanyl)-5-methyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5S)-5-cyclohexyl-2-(2-ethoxyethylthio)-5-methyl-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5S)-5-cyclohexyl-2-(2-ethoxyethylsulfanyl)-5-methyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5S)-5-cyclohexyl-2-(2-ethoxyethylthio)-5-methyl-6H-benzo[h]quinazolin-4-olate Formula: C23H29N2O2S- MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(C(=N1)[O-])C(CC3=CC=CC=C32)(C)C4CCCCC4

Isomeric SMILES

CCOCCSC1=NC2=C(C(=N1)[O-])[C@](CC3=CC=CC=C32)(C)C4CCCCC4

InChI

InChI=1S/C23H30N2O2S/c1-3-27-13-14-28-22-24-20-18-12-8-7-9-16(18)15-23(2,19(20)21(26)25-22)17-10-5-4-6-11-17/h7-9,12,17H,3-6,10-11,13-15H2,1-2H3,(H,24,25,26)/p-1/t23-/m0/s1