3-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSCCC(=O)O)C

InChI

InChI=1S/C14H19NO5S/c1-4-20-14(19)12-8(2)13(15-9(12)3)10(16)7-21-6-5-11(17)18/h15H,4-7H2,1-3H3,(H,17,18)