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

Systemtic Name: ethyl 2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoate Openeye Name: ethyl 2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylpentanoate CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]valeric acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c1-3-7-18(20(26)29-4-2)30-21-22-17-9-6-5-8-16(17)19(25)23(21)14-10-12-15(13-11-14)24(27)28/h5-6,8-13,18H,3-4,7H2,1-2H3