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

Systemtic Name: 3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSCCC(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H17NO5S/c1-7-11(13(18)19-3)8(2)14-12(7)9(15)6-20-5-4-10(16)17/h14H,4-6H2,1-3H3,(H,16,17)