S-(phenylmethyl) 2-methyl-3-oxidanyl-4-phenyl-butanethioate

Systemtic Name: S-(phenylmethyl) 2-methyl-3-oxidanyl-4-phenyl-butanethioate Openeye Name: S-benzyl 3-hydroxy-2-methyl-4-phenyl-butanethioate CAS Name: 3-hydroxy-2-methyl-4-phenylbutanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-hydroxy-2-methyl-4-phenylbutanethioate Traditional Name: 3-hydroxy-2-methyl-4-phenyl-butanethioic acid S-benzyl ester Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)O)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(CC1=CC=CC=C1)O)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C18H20O2S/c1-14(17(19)12-15-8-4-2-5-9-15)18(20)21-13-16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3