methyl 2-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3,4-difluorophenyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3,4-difluorophenyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-difluorophenyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3,4-difluorophenyl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12F2N2O3S MolecularWeight: 362.350586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H12F2N2O3S/c1-24-17(23)9-2-4-11-14(6-9)20-15(21-16(11)22)8-25-10-3-5-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,21,22)