[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl] (E)-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate

Systemtic Name: [4-[(4-phenoxyphenyl)amino]quinazolin-6-yl] (E)-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate Openeye Name: [4-(4-phenoxyanilino)quinazolin-6-yl] (E)-4-(3-morpholinopropylsulfanyl)but-2-enoate CAS Name: (E)-4-[3-(4-morpholinyl)propylthio]-2-butenoic acid [4-(4-phenoxyanilino)-6-quinazolinyl] ester IUPAC Name: [4-(4-phenoxyanilino)quinazolin-6-yl] (E)-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate Traditional Name: (E)-4-(3-morpholinopropylthio)but-2-enoic acid [4-(4-phenoxyanilino)quinazolin-6-yl] ester Formula: C31H32N4O4S MolecularWeight: 556.67518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCSCC=CC(=O)OC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCCSC/C=C/C(=O)OC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O4S/c36-30(8-4-20-40-21-5-15-35-16-18-37-19-17-35)39-27-13-14-29-28(22-27)31(33-23-32-29)34-24-9-11-26(12-10-24)38-25-6-2-1-3-7-25/h1-4,6-14,22-23H,5,15-21H2,(H,32,33,34)/b8-4+