4-(3-chlorophenyl)carbonyl-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[(3-chlorophenyl)-oxomethyl]-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-(2-thienyl)proline Formula: C30H24ClN3O6S MolecularWeight: 590.04606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C30H24ClN3O6S/c1-30(28(36)37)25(23-14-7-15-41-23)24(27(35)19-9-5-10-20(31)16-19)26(18-8-6-13-22(17-18)34(39)40)33(30)29(38)32-21-11-3-2-4-12-21/h2-17,24-26H,1H3,(H,32,38)(H,36,37)