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

Systemtic Name: methyl 2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S/c1-25-15(21)10-26-17-18-14-5-3-2-4-13(14)16(22)19(17)11-6-8-12(9-7-11)20(23)24/h2-9H,10H2,1H3