5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(phenylcarbonyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(phenylcarbonyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-chlorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-chlorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-chlorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-chlorophenyl)-4-(2-thenoyl)proline Formula: C30H22ClNO6S MolecularWeight: 560.01678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(C(N3C(=O)C4=CC=CC=C4)C(=O)O)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CS6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(C(C(N3C(=O)C4=CC=CC=C4)C(=O)O)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CS6

InChI

InChI=1S/C30H22ClNO6S/c31-20-11-8-17(9-12-20)24-25(28(33)23-7-4-14-39-23)26(19-10-13-21-22(15-19)38-16-37-21)32(27(24)30(35)36)29(34)18-5-2-1-3-6-18/h1-15,24-27H,16H2,(H,35,36)