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

Systemtic Name: ethyl 2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-2-26-16(22)11-27-18-19-15-6-4-3-5-14(15)17(23)20(18)12-7-9-13(10-8-12)21(24)25/h3-10H,2,11H2,1H3