(E)-N-[3-[[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]amino]-2,3-bis(oxidanylidene)propyl]-4-(2-methylsulfonylethylamino)but-2-enamide

Systemtic Name: (E)-N-[3-[[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]amino]-2,3-bis(oxidanylidene)propyl]-4-(2-methylsulfonylethylamino)but-2-enamide Openeye Name: (E)-N-[3-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-2,3-dioxo-propyl]-4-(2-methylsulfonylethylamino)but-2-enamide CAS Name: (E)-N-[3-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]amino]-2,3-dioxopropyl]-4-(2-methylsulfonylethylamino)-2-butenamide IUPAC Name: (E)-N-[3-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-2,3-dioxopropyl]-4-(2-methylsulfonylethylamino)but-2-enamide Traditional Name: (E)-N-[3-[[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]quinazolin-6-yl]amino]-2,3-diketo-propyl]-4-(2-mesylethylamino)but-2-enamide Formula: C31H30ClFN6O6S MolecularWeight: 669.122903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC=CC(=O)NCC(=O)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Isomeric SMILES

CS(=O)(=O)CCNC/C=C/C(=O)NCC(=O)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C31H30ClFN6O6S/c1-46(43,44)13-12-34-11-3-6-29(41)35-17-27(40)31(42)39-22-7-9-26-24(15-22)30(37-19-36-26)38-23-8-10-28(25(32)16-23)45-18-20-4-2-5-21(33)14-20/h2-10,14-16,19,34H,11-13,17-18H2,1H3,(H,35,41)(H,39,42)(H,36,37,38)/b6-3+