methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC=CC3=CC=C(O3)[N+](=O)[O-])CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)S/C=C/C3=CC=C(O3)[N+](=O)[O-])CC4CCCO4

InChI

InChI=1S/C21H19N3O7S/c1-29-20(26)13-4-6-16-17(11-13)22-21(23(19(16)25)12-15-3-2-9-30-15)32-10-8-14-5-7-18(31-14)24(27)28/h4-8,10-11,15H,2-3,9,12H2,1H3/b10-8+