ethyl 1-[2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)F

InChI

InChI=1S/C26H28FN3O4S/c1-4-34-25(33)18-11-13-29(14-12-18)23(31)17(3)35-26-28-22-8-6-5-7-20(22)24(32)30(26)19-10-9-16(2)21(27)15-19/h5-10,15,17-18H,4,11-14H2,1-3H3