[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C33H27N3O3S MolecularWeight: 545.65078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H27N3O3S/c1-40-33-35-30(26-11-6-3-7-12-26)22-31(36-33)34-27-13-8-14-29(21-27)39-32(37)20-17-24-15-18-28(19-16-24)38-23-25-9-4-2-5-10-25/h2-22H,23H2,1H3,(H,34,35,36)/b20-17+