2-[(1S,2R)-2-oxidanylidene-3,4-dihydro-1H-isothiochromen-1-yl]-1-pyrrol-1-yl-ethanone

Systemtic Name: 2-[(1S,2R)-2-oxidanylidene-3,4-dihydro-1H-isothiochromen-1-yl]-1-pyrrol-1-yl-ethanone Openeye Name: 2-[(1S,2R)-2-oxo-3,4-dihydro-1H-isothiochromen-1-yl]-1-pyrrol-1-yl-ethanone CAS Name: 2-[(1S,2R)-2-oxo-3,4-dihydro-1H-2-benzothiopyran-1-yl]-1-(1-pyrrolyl)ethanone IUPAC Name: 2-[(1S,2R)-2-oxo-3,4-dihydro-1H-isothiochromen-1-yl]-1-pyrrol-1-ylethanone Traditional Name: 2-[(1S,2R)-2-keto-3,4-dihydro-1H-isothiochromen-1-yl]-1-pyrrol-1-yl-ethanone Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)C(C2=CC=CC=C21)CC(=O)N3C=CC=C3

Isomeric SMILES

C1C[S@@](=O)[C@H](C2=CC=CC=C21)CC(=O)N3C=CC=C3

InChI

InChI=1S/C15H15NO2S/c17-15(16-8-3-4-9-16)11-14-13-6-2-1-5-12(13)7-10-19(14)18/h1-6,8-9,14H,7,10-11H2/t14-,19+/m0/s1