3-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]propanoate

Systemtic Name: 3-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]propanoate Openeye Name: 3-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]propanoate CAS Name: 3-[1-[(3S)-1,1-dioxo-3-thiolanyl]-2,5-dimethyl-3-pyrrolyl]propanoate IUPAC Name: 3-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]propanoate Traditional Name: 3-[1-[(3S)-1,1-diketothiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]propionate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@H]2CCS(=O)(=O)C2)C)CCC(=O)[O-]

InChI

InChI=1S/C13H19NO4S/c1-9-7-11(3-4-13(15)16)10(2)14(9)12-5-6-19(17,18)8-12/h7,12H,3-6,8H2,1-2H3,(H,15,16)/p-1/t12-/m0/s1