[(2R,3R,4S)-2-(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)-4-isothiocyanato-oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S)-2-(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)-4-isothiocyanato-oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4S)-2-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-isothiocyanato-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S)-2-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-isothiocyanato-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S)-2-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-isothiocyanatooxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S)-2-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-isothiocyanato-tetrahydrofuran-3-yl] ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C2C(C(CO2)N=C=S)OC(=O)C)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1)[C@@H]2[C@@H]([C@H](CO2)N=C=S)OC(=O)C)C(=O)C

InChI

InChI=1S/C14H16N2O4S/c1-7-10(8(2)17)4-11(16-7)13-14(20-9(3)18)12(5-19-13)15-6-21/h4,12-14,16H,5H2,1-3H3/t12-,13+,14+/m0/s1