[4-[[4-[5-[4-[(4-ethylphenyl)-phenyl-amino]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]-(4-prop-2-enoyloxyphenyl)amino]phenyl] prop-2-enoate

Systemtic Name: [4-[[4-[5-[4-[(4-ethylphenyl)-phenyl-amino]phenyl]-1,3,4-thiadiazol-2-yl]phenyl]-(4-prop-2-enoyloxyphenyl)amino]phenyl] prop-2-enoate Openeye Name: [4-[4-[5-[4-(N-(4-ethylphenyl)anilino)phenyl]-1,3,4-thiadiazol-2-yl]-N-(4-prop-2-enoyloxyphenyl)anilino]phenyl] prop-2-enoate CAS Name: 2-propenoic acid [4-[4-[5-[4-(N-(4-ethylphenyl)anilino)phenyl]-1,3,4-thiadiazol-2-yl]-N-[4-(1-oxoprop-2-enoxy)phenyl]anilino]phenyl] ester IUPAC Name: [4-[4-[5-[4-(N-(4-ethylphenyl)anilino)phenyl]-1,3,4-thiadiazol-2-yl]-N-(4-prop-2-enoyloxyphenyl)anilino]phenyl] prop-2-enoate Traditional Name: acrylic acid [4-[N-(4-acryloyloxyphenyl)-4-[5-[4-(N-(4-ethylphenyl)anilino)phenyl]-1,3,4-thiadiazol-2-yl]anilino]phenyl] ester Formula: C46H36N4O4S MolecularWeight: 740.86744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC(=O)C=C)C7=CC=C(C=C7)OC(=O)C=C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC(=O)C=C)C7=CC=C(C=C7)OC(=O)C=C

InChI

InChI=1S/C46H36N4O4S/c1-4-32-12-18-36(19-13-32)49(35-10-8-7-9-11-35)37-20-14-33(15-21-37)45-47-48-46(55-45)34-16-22-38(23-17-34)50(39-24-28-41(29-25-39)53-43(51)5-2)40-26-30-42(31-27-40)54-44(52)6-3/h5-31H,2-4H2,1H3