S-(4-bromophenyl) 4-methylpent-3-enethioate

Systemtic Name: S-(4-bromophenyl) 4-methylpent-3-enethioate Openeye Name: S-(4-bromophenyl) 4-methylpent-3-enethioate CAS Name: 4-methyl-3-pentenethioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) 4-methylpent-3-enethioate Traditional Name: 4-methylpent-3-enethioic acid S-(4-bromophenyl) ester Formula: C12H13BrOS MolecularWeight: 285.20002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrOS/c1-9(2)3-8-12(14)15-11-6-4-10(13)5-7-11/h3-7H,8H2,1-2H3