(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(furan-2-ylmethylsulfanyl)propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(furan-2-ylmethylsulfanyl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-furylmethylsulfanyl)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-furanylmethylthio)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(furan-2-ylmethylsulfanyl)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-furfurylthio)propan-1-one Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SCC2=CC=CO2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SCC2=CC=CO2

InChI

InChI=1S/C16H19NO3S/c1-9-14(11(3)18)10(2)17-15(9)16(19)12(4)21-8-13-6-5-7-20-13/h5-7,12,17H,8H2,1-4H3/t12-/m0/s1