2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methylthio]quinazolin-4-olate Formula: C21H18N3O3S2- MolecularWeight: 424.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=N3)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=N3)[O-])OC

InChI

InChI=1S/C21H19N3O3S2/c1-3-27-17-9-8-13(10-18(17)26-2)20-22-14(11-28-20)12-29-21-23-16-7-5-4-6-15(16)19(25)24-21/h4-11H,3,12H2,1-2H3,(H,23,24,25)/p-1