methyl 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4)F

InChI

InChI=1S/C23H19FN2O5S/c1-29-20-8-5-14(10-18(20)24)13-32-23-25-19-11-15(22(28)30-2)6-7-17(19)21(27)26(23)12-16-4-3-9-31-16/h3-11H,12-13H2,1-2H3