methyl 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-methoxy-5-nitro-benzyl)thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

InChI

InChI=1S/C23H23N3O7S/c1-31-20-8-6-16(26(29)30)10-15(20)13-34-23-24-19-11-14(22(28)32-2)5-7-18(19)21(27)25(23)12-17-4-3-9-33-17/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3