1-[2-(4-methoxyphenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-methoxyphenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[2-[(4-methoxyphenyl)thio]acetyl]proline Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C14H17NO5S/c1-20-10-2-4-11(5-3-10)21-8-13(17)15-7-9(16)6-12(15)14(18)19/h2-5,9,12,16H,6-8H2,1H3,(H,18,19)