2-[2-oxidanylidene-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]thio]quinazolin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])(C)C

Isomeric SMILES

C[C@H]1CC(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])(C)C

InChI

InChI=1S/C22H23N3O2S/c1-14-12-22(2,3)25(18-11-7-5-8-15(14)18)19(26)13-28-21-23-17-10-6-4-9-16(17)20(27)24-21/h4-11,14H,12-13H2,1-3H3,(H,23,24,27)/p-1/t14-/m0/s1