S-phenyl 3,4-dimethylpent-3-enethioate

Systemtic Name: S-phenyl 3,4-dimethylpent-3-enethioate Openeye Name: S-phenyl 3,4-dimethylpent-3-enethioate CAS Name: 3,4-dimethyl-3-pentenethioic acid S-phenyl ester IUPAC Name: S-phenyl 3,4-dimethylpent-3-enethioate Traditional Name: 3,4-dimethylpent-3-enethioic acid S-phenyl ester Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16OS/c1-10(2)11(3)9-13(14)15-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3