ethyl 4-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H22ClFN4O4S MolecularWeight: 504.961583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H22ClFN4O4S/c1-2-33-23(32)28-11-9-27(10-12-28)20(30)14-34-22-26-19-6-4-3-5-16(19)21(31)29(22)15-7-8-18(25)17(24)13-15/h3-8,13H,2,9-12,14H2,1H3