5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-(5-methylfuran-2-yl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-(5-methylfuran-2-yl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(5-methylfuran-2-carbonyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-4-[(5-methyl-2-furanyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(5-methylfuran-2-carbonyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(5-methyl-2-furoyl)-3-(3-methyl-2-thienyl)proline Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)COC)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(O4)C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)COC)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(O4)C

InChI

InChI=1S/C27H26N2O6S/c1-15-11-12-36-25(15)22-21(24(31)19-10-5-16(2)35-19)23(18-8-6-17(13-28)7-9-18)29(20(30)14-34-4)27(22,3)26(32)33/h5-12,21-23H,14H2,1-4H3,(H,32,33)