4-[4-(2-hydroxyethylsulfanyl)phenyl]carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile

Systemtic Name: 4-[4-(2-hydroxyethylsulfanyl)phenyl]carbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile Openeye Name: 4-[4-(2-hydroxyethylsulfanyl)benzoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile CAS Name: 4-[[4-(2-hydroxyethylthio)phenyl]-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile IUPAC Name: 4-[4-(2-hydroxyethylsulfanyl)benzoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile Traditional Name: 4-[4-(2-hydroxyethylthio)benzoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C=CC1(O2)C(=O)C3=CC=C(C=C3)SCCO)C#N

Isomeric SMILES

C1C(C2C=CC1(O2)C(=O)C3=CC=C(C=C3)SCCO)C#N

InChI

InChI=1S/C16H15NO3S/c17-10-12-9-16(6-5-14(12)20-16)15(19)11-1-3-13(4-2-11)21-8-7-18/h1-6,12,14,18H,7-9H2