butyl 6,6-dimethyl-4-(phenylmethylsulfanyl)pyran-2-carboxylate

Systemtic Name: butyl 6,6-dimethyl-4-(phenylmethylsulfanyl)pyran-2-carboxylate Openeye Name: butyl 4-benzylsulfanyl-6,6-dimethyl-pyran-2-carboxylate CAS Name: 6,6-dimethyl-4-(phenylmethylthio)-2-pyrancarboxylic acid butyl ester IUPAC Name: butyl 4-benzylsulfanyl-6,6-dimethylpyran-2-carboxylate Traditional Name: 4-(benzylthio)-6,6-dimethyl-pyran-2-carboxylic acid butyl ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(O1)(C)C)SCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(O1)(C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C19H24O3S/c1-4-5-11-21-18(20)17-12-16(13-19(2,3)22-17)23-14-15-9-7-6-8-10-15/h6-10,12-13H,4-5,11,14H2,1-3H3