(5-methyl-2-propan-2-yl-cyclohexyl) (E)-3-pyridin-2-ylsulfinylprop-2-enoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) (E)-3-pyridin-2-ylsulfinylprop-2-enoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) (E)-3-(2-pyridylsulfinyl)prop-2-enoate CAS Name: (E)-3-(2-pyridinylsulfinyl)-2-propenoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) (E)-3-pyridin-2-ylsulfinylprop-2-enoate Traditional Name: (E)-3-(2-pyridylsulfinyl)acrylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CS(=O)C2=CC=CC=N2)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)/C=C/S(=O)C2=CC=CC=N2)C(C)C

InChI

InChI=1S/C18H25NO3S/c1-13(2)15-8-7-14(3)12-16(15)22-18(20)9-11-23(21)17-6-4-5-10-19-17/h4-6,9-11,13-16H,7-8,12H2,1-3H3/b11-9+