(5R)-5-cyclopentyl-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate

Systemtic Name: (5R)-5-cyclopentyl-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate Openeye Name: (5R)-5-cyclopentyl-2-(3-methoxy-3-oxo-propyl)sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate CAS Name: (5R)-5-cyclopentyl-2-[(3-methoxy-3-oxopropyl)thio]-5,6-dihydrobenzo[h]quinazolin-4-olate IUPAC Name: (5R)-5-cyclopentyl-2-(3-methoxy-3-oxopropyl)sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate Traditional Name: (5R)-5-cyclopentyl-2-[(3-keto-3-methoxy-propyl)thio]-5,6-dihydrobenzo[h]quinazolin-4-olate Formula: C21H23N2O3S- MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=C(C(CC3=CC=CC=C32)C4CCCC4)C(=N1)[O-]

Isomeric SMILES

COC(=O)CCSC1=NC2=C([C@H](CC3=CC=CC=C32)C4CCCC4)C(=N1)[O-]

InChI

InChI=1S/C21H24N2O3S/c1-26-17(24)10-11-27-21-22-19-15-9-5-4-8-14(15)12-16(13-6-2-3-7-13)18(19)20(25)23-21/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,22,23,25)/p-1/t16-/m1/s1