(3-phenoxyphenyl)methyl 2,2-dimethyl-3-[(E)-2-phenylsulfanylethenyl]cyclopropane-1-carboxylate

Systemtic Name: (3-phenoxyphenyl)methyl 2,2-dimethyl-3-[(E)-2-phenylsulfanylethenyl]cyclopropane-1-carboxylate Openeye Name: (3-phenoxyphenyl)methyl 2,2-dimethyl-3-[(E)-2-phenylsulfanylvinyl]cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-[(E)-2-(phenylthio)ethenyl]-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2,2-dimethyl-3-[(E)-2-phenylsulfanylethenyl]cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-[(E)-2-(phenylthio)vinyl]cyclopropanecarboxylic acid (3-phenoxybenzyl) ester Formula: C27H26O3S MolecularWeight: 430.55854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=CSC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C/SC4=CC=CC=C4)C

InChI

InChI=1S/C27H26O3S/c1-27(2)24(16-17-31-23-14-7-4-8-15-23)25(27)26(28)29-19-20-10-9-13-22(18-20)30-21-11-5-3-6-12-21/h3-18,24-25H,19H2,1-2H3/b17-16+