3-[2-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-1,3-dithiolan-2-yl]propanoic acid

Systemtic Name: 3-[2-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-1,3-dithiolan-2-yl]propanoic acid Openeye Name: 3-[2-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-1,3-dithiolan-2-yl]propanoic acid CAS Name: 3-[2-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-1,3-dithiolan-2-yl]propanoic acid IUPAC Name: 3-[2-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-1,3-dithiolan-2-yl]propanoic acid Traditional Name: 3-[2-(5-carbethoxy-1H-pyrrol-3-yl)-1,3-dithiolan-2-yl]propionic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1)C2(SCCS2)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CN1)C2(SCCS2)CCC(=O)O

InChI

InChI=1S/C13H17NO4S2/c1-2-18-12(17)10-7-9(8-14-10)13(4-3-11(15)16)19-5-6-20-13/h7-8,14H,2-6H2,1H3,(H,15,16)