2-[2-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(6-methoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(6-methoxy-2,2,4-trimethyl-1-quinolyl)ethyl]thio]quinazolin-4-olate Formula: C23H22N3O3S- MolecularWeight: 420.50408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])(C)C

InChI

InChI=1S/C23H23N3O3S/c1-14-12-23(2,3)26(19-10-9-15(29-4)11-17(14)19)20(27)13-30-22-24-18-8-6-5-7-16(18)21(28)25-22/h5-12H,13H2,1-4H3,(H,24,25,28)/p-1