6-[(2S)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C26H20FN3O4S MolecularWeight: 489.518103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)F

InChI

InChI=1S/C26H20FN3O4S/c1-14-7-9-17(12-19(14)27)30-25(33)18-5-3-4-6-20(18)29-26(30)35-15(2)24(32)16-8-10-22-21(11-16)28-23(31)13-34-22/h3-12,15H,13H2,1-2H3,(H,28,31)/t15-/m0/s1