(5S)-5-cyclohexyl-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-methyl-6H-benzo[h]quinazolin-4-olate

Systemtic Name: (5S)-5-cyclohexyl-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-methyl-6H-benzo[h]quinazolin-4-olate Openeye Name: (5S)-5-cyclohexyl-2-(3-methoxy-3-oxo-propyl)sulfanyl-5-methyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5S)-5-cyclohexyl-2-[(3-methoxy-3-oxopropyl)thio]-5-methyl-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5S)-5-cyclohexyl-2-(3-methoxy-3-oxopropyl)sulfanyl-5-methyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5S)-5-cyclohexyl-2-[(3-keto-3-methoxy-propyl)thio]-5-methyl-6H-benzo[h]quinazolin-4-olate Formula: C23H27N2O3S- MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCCC(=O)OC)[O-])C4CCCCC4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCCC(=O)OC)[O-])C4CCCCC4

InChI

InChI=1S/C23H28N2O3S/c1-23(16-9-4-3-5-10-16)14-15-8-6-7-11-17(15)20-19(23)21(27)25-22(24-20)29-13-12-18(26)28-2/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H,24,25,27)/p-1/t23-/m0/s1