methyl 3-[5-(hydroxymethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-1-methylsulfonyl-pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[5-(hydroxymethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-1-methylsulfonyl-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[5-(hydroxymethyl)-4-(2-methoxy-2-oxo-ethyl)-1-methylsulfonyl-pyrrol-3-yl]propanoate CAS Name: 3-[5-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-1-methylsulfonyl-3-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-1-methylsulfonylpyrrol-3-yl]propanoate Traditional Name: 3-[4-(2-keto-2-methoxy-ethyl)-1-mesyl-5-methylol-pyrrol-3-yl]propionic acid methyl ester Formula: C13H19NO7S MolecularWeight: 333.35746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C(=C1CC(=O)OC)CO)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCC1=CN(C(=C1CC(=O)OC)CO)S(=O)(=O)C

InChI

InChI=1S/C13H19NO7S/c1-20-12(16)5-4-9-7-14(22(3,18)19)11(8-15)10(9)6-13(17)21-2/h7,15H,4-6,8H2,1-3H3