ethyl 4-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-2-28-18(24)8-5-13-29-20-21-17-7-4-3-6-16(17)19(25)22(20)14-9-11-15(12-10-14)23(26)27/h3-4,6-7,9-12H,2,5,8,13H2,1H3