S-(3-phenylpropyl) (E)-2-cyano-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enethioate

Systemtic Name: S-(3-phenylpropyl) (E)-2-cyano-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enethioate Openeye Name: S-(3-phenylpropyl) (E)-2-cyano-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enethioate CAS Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-propenethioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enethioate Traditional Name: (E)-2-cyano-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enethioic acid S-(3-phenylpropyl) ester Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)SCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)SCCCC2=CC=CC=C2

InChI

InChI=1S/C25H29NO2S/c1-17(2)22-14-20(15-23(18(3)4)24(22)27)13-21(16-26)25(28)29-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,27H,8,11-12H2,1-4H3/b21-13+