(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C24H25N3O7S/c1-15(2)7-8-26-23(29)19-5-3-4-6-20(19)25-24(26)35-13-21(28)33-12-17-10-18(27(30)31)9-16-11-32-14-34-22(16)17/h3-6,9-10,15H,7-8,11-14H2,1-2H3