phenacyl 4-(furan-2-ylmethylsulfanylmethyl)benzoate

Systemtic Name: phenacyl 4-(furan-2-ylmethylsulfanylmethyl)benzoate Openeye Name: phenacyl 4-(2-furylmethylsulfanylmethyl)benzoate CAS Name: 4-[(2-furanylmethylthio)methyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(furan-2-ylmethylsulfanylmethyl)benzoate Traditional Name: 4-[(2-furfurylthio)methyl]benzoic acid phenacyl ester Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CSCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CSCC3=CC=CO3

InChI

InChI=1S/C21H18O4S/c22-20(17-5-2-1-3-6-17)13-25-21(23)18-10-8-16(9-11-18)14-26-15-19-7-4-12-24-19/h1-12H,13-15H2