5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(4-methylsulfanylbenzoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-[4-(methylthio)benzoyl]-3-phenyl-proline Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)SC)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)SC)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H28N2O5S/c1-30(29(35)36)26(20-7-5-4-6-8-20)25(28(34)22-13-15-23(38-3)16-14-22)27(32(30)24(33)18-37-2)21-11-9-19(17-31)10-12-21/h4-16,25-27H,18H2,1-3H3,(H,35,36)