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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-propoxyphenyl)-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-(2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-propoxyphenyl)acrylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C29H27N3O3S/c1-3-18-34-26-15-8-7-12-22(26)16-17-28(33)35-24-14-9-13-23(19-24)30-27-20-25(31-29(32-27)36-2)21-10-5-4-6-11-21/h4-17,19-20H,3,18H2,1-2H3,(H,30,31,32)/b17-16+