(6-phenoxypyridin-2-yl)methyl (E)-2-cyano-4-(4-methylthiophen-2-yl)-2-propan-2-yl-but-3-enoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl (E)-2-cyano-4-(4-methylthiophen-2-yl)-2-propan-2-yl-but-3-enoate Openeye Name: (6-phenoxy-2-pyridyl)methyl (E)-2-cyano-2-isopropyl-4-(4-methyl-2-thienyl)but-3-enoate CAS Name: (E)-2-cyano-4-(4-methyl-2-thiophenyl)-2-propan-2-yl-3-butenoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl (E)-2-cyano-4-(4-methylthiophen-2-yl)-2-propan-2-ylbut-3-enoate Traditional Name: (E)-2-cyano-2-isopropyl-4-(4-methyl-2-thienyl)but-3-enoic acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C=CC(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=C1)/C=C/C(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O3S/c1-18(2)25(17-26,13-12-22-14-19(3)16-31-22)24(28)29-15-20-8-7-11-23(27-20)30-21-9-5-4-6-10-21/h4-14,16,18H,15H2,1-3H3/b13-12+