ethyl 2,5-dimethyl-3-oxidanyl-4-phenylsulfanyl-benzoate

Systemtic Name: ethyl 2,5-dimethyl-3-oxidanyl-4-phenylsulfanyl-benzoate Openeye Name: ethyl 3-hydroxy-2,5-dimethyl-4-phenylsulfanyl-benzoate CAS Name: 3-hydroxy-2,5-dimethyl-4-(phenylthio)benzoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2,5-dimethyl-4-phenylsulfanylbenzoate Traditional Name: 3-hydroxy-2,5-dimethyl-4-(phenylthio)benzoic acid ethyl ester Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1C)O)SC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1C)O)SC2=CC=CC=C2)C

InChI

InChI=1S/C17H18O3S/c1-4-20-17(19)14-10-11(2)16(15(18)12(14)3)21-13-8-6-5-7-9-13/h5-10,18H,4H2,1-3H3