(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(2,5-difluorophenyl)sulfanylacetate CAS Name: 2-[(2,5-difluorophenyl)thio]acetic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(2,5-difluorophenyl)sulfanylacetate Traditional Name: 2-[(2,5-difluorophenyl)thio]acetic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C18H14F2N2O3S MolecularWeight: 376.377166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CSC3=C(C=CC(=C3)F)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CSC3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H14F2N2O3S/c1-10-3-2-4-12-17(10)21-15(22-18(12)24)8-25-16(23)9-26-14-7-11(19)5-6-13(14)20/h2-7H,8-9H2,1H3,(H,21,22,24)