1-[4-(4-chlorophenyl)-4-oxidanylidene-3-(5-thiophen-2-ylcarbonylpyrimidin-2-yl)sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-chlorophenyl)-4-oxidanylidene-3-(5-thiophen-2-ylcarbonylpyrimidin-2-yl)sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(4-chlorophenyl)-4-oxo-3-[5-(thiophene-2-carbonyl)pyrimidin-2-yl]sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(4-chlorophenyl)-1,4-dioxo-3-[[5-[oxo(thiophen-2-yl)methyl]-2-pyrimidinyl]thio]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(4-chlorophenyl)-4-oxo-3-[5-(thiophene-2-carbonyl)pyrimidin-2-yl]sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(4-chlorophenyl)-4-keto-3-[[5-(2-thenoyl)pyrimidin-2-yl]thio]butanoyl]proline Formula: C24H20ClN3O5S2 MolecularWeight: 530.0157

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)Cl)SC3=NC=C(C=N3)C(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)Cl)SC3=NC=C(C=N3)C(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H20ClN3O5S2/c25-16-7-5-14(6-8-16)21(30)19(11-20(29)28-9-1-3-17(28)23(32)33)35-24-26-12-15(13-27-24)22(31)18-4-2-10-34-18/h2,4-8,10,12-13,17,19H,1,3,9,11H2,(H,32,33)