ethyl 7-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]sulfanylheptanoate

Systemtic Name: ethyl 7-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]sulfanylheptanoate Openeye Name: ethyl 7-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]sulfanylheptanoate CAS Name: 7-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]thio]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfanylheptanoate Traditional Name: 7-[[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]thio]enanthic acid ethyl ester Formula: C24H27ClFN3O3S MolecularWeight: 492.005883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

CCOC(=O)CCCCCCSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C24H27ClFN3O3S/c1-3-32-23(30)8-6-4-5-7-11-33-22-13-17-20(14-21(22)31-2)27-15-28-24(17)29-16-9-10-19(26)18(25)12-16/h9-10,12-15H,3-8,11H2,1-2H3,(H,27,28,29)