3-methyl-2-(phenylmethylsulfanyl)-2-(2H-pyran-4-yl)butanoic acid

Systemtic Name: 3-methyl-2-(phenylmethylsulfanyl)-2-(2H-pyran-4-yl)butanoic acid Openeye Name: 2-benzylsulfanyl-3-methyl-2-(2H-pyran-4-yl)butanoic acid CAS Name: 3-methyl-2-(phenylmethylthio)-2-(2H-pyran-4-yl)butanoic acid IUPAC Name: 2-benzylsulfanyl-3-methyl-2-(2H-pyran-4-yl)butanoic acid Traditional Name: 2-(benzylthio)-3-methyl-2-(2H-pyran-4-yl)butyric acid Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O3S/c1-13(2)17(16(18)19,15-8-10-20-11-9-15)21-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,18,19)