2-[4-(4-chlorophenyl)phenyl]carbonyl-5-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)benzoyl]-5-(pyrrolidine-1-carbothioylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-5-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)benzoyl]-5-(pyrrolidine-1-carbothioylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(pyrrolidine-1-carbothioylthio)methyl]cyclopentanecarboxylic acid Formula: C25H26ClNO3S2 MolecularWeight: 488.06184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC2CCC(C2C(=O)O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=S)SCC2CCC(C2C(=O)O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClNO3S2/c26-20-10-7-17(8-11-20)16-3-5-18(6-4-16)23(28)21-12-9-19(22(21)24(29)30)15-32-25(31)27-13-1-2-14-27/h3-8,10-11,19,21-22H,1-2,9,12-15H2,(H,29,30)