S-phenyl 2,3-dideuterio-4-methyl-pent-3-enethioate

Systemtic Name: S-phenyl 2,3-dideuterio-4-methyl-pent-3-enethioate Openeye Name: S-phenyl 2,3-dideuterio-4-methyl-pent-3-enethioate CAS Name: 2,3-dideuterio-4-methyl-3-pentenethioic acid S-phenyl ester IUPAC Name: S-phenyl 2,3-dideuterio-4-methylpent-3-enethioate Traditional Name: 2,3-dideuterio-4-methyl-pent-3-enethioic acid S-phenyl ester Formula: C12H14OS MolecularWeight: 208.316284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(=O)SC1=CC=CC=C1)C

Isomeric SMILES

[2H]C(C(=C(C)C)[2H])C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C12H14OS/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/i8D,9D