3-(phenylmethylsulfanyl)-6-[2-(1H-pyrrol-2-yl)ethyl]pyran-2-one

Systemtic Name: 3-(phenylmethylsulfanyl)-6-[2-(1H-pyrrol-2-yl)ethyl]pyran-2-one Openeye Name: 3-benzylsulfanyl-6-[2-(1H-pyrrol-2-yl)ethyl]pyran-2-one CAS Name: 3-(phenylmethylthio)-6-[2-(1H-pyrrol-2-yl)ethyl]-2-pyranone IUPAC Name: 3-benzylsulfanyl-6-[2-(1H-pyrrol-2-yl)ethyl]pyran-2-one Traditional Name: 3-(benzylthio)-6-[2-(1H-pyrrol-2-yl)ethyl]pyran-2-one Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(OC2=O)CCC3=CC=CN3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(OC2=O)CCC3=CC=CN3

InChI

InChI=1S/C18H17NO2S/c20-18-17(22-13-14-5-2-1-3-6-14)11-10-16(21-18)9-8-15-7-4-12-19-15/h1-7,10-12,19H,8-9,13H2