ethyl 5-azanyl-4-cyano-3-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C24H19FN4O3S2 MolecularWeight: 494.561063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)F

InChI

InChI=1S/C24H19FN4O3S2/c1-3-32-23(31)20-17(16(11-26)21(27)34-20)12-33-24-28-19-7-5-4-6-15(19)22(30)29(24)14-9-8-13(2)18(25)10-14/h4-10H,3,12,27H2,1-2H3