S-(phenylmethyl) 2-(2-methylpropyl)-3-oxidanyl-pent-4-enethioate

Systemtic Name: S-(phenylmethyl) 2-(2-methylpropyl)-3-oxidanyl-pent-4-enethioate Openeye Name: S-benzyl 3-hydroxy-2-isobutyl-pent-4-enethioate CAS Name: 3-hydroxy-2-(2-methylpropyl)-4-pentenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-hydroxy-2-(2-methylpropyl)pent-4-enethioate Traditional Name: 3-hydroxy-2-isobutyl-pent-4-enethioic acid S-benzyl ester Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C=C)O)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(C=C)O)C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C16H22O2S/c1-4-15(17)14(10-12(2)3)16(18)19-11-13-8-6-5-7-9-13/h4-9,12,14-15,17H,1,10-11H2,2-3H3