5-(2-hydroxyphenyl)-1-[3-(4-methylphenyl)-3-oxidanylidene-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-hydroxyphenyl)-1-[3-(4-methylphenyl)-3-oxidanylidene-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(2-hydroxyphenyl)-1-[3-oxo-3-(p-tolyl)-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(2-hydroxyphenyl)-1-[2-(mercaptomethyl)-3-(4-methylphenyl)-1,3-dioxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-hydroxyphenyl)-1-[3-(4-methylphenyl)-3-oxo-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(2-hydroxyphenyl)-1-[3-keto-2-(mercaptomethyl)-3-(p-tolyl)propanoyl]proline Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CS)C(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CS)C(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3O

InChI

InChI=1S/C22H23NO5S/c1-13-6-8-14(9-7-13)20(25)16(12-29)21(26)23-17(10-11-18(23)22(27)28)15-4-2-3-5-19(15)24/h2-9,16-18,24,29H,10-12H2,1H3,(H,27,28)