1-[3-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[2-(4-isobutylphenyl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]propylthio]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[2-(4-isobutylphenyl)propanoyloxy]propylthio]carbothioylproline Formula: C22H31NO4S2 MolecularWeight: 437.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCSC(=S)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCSC(=S)N2CCCC2C(=O)O

InChI

InChI=1S/C22H31NO4S2/c1-15(2)14-17-7-9-18(10-8-17)16(3)21(26)27-12-5-13-29-22(28)23-11-4-6-19(23)20(24)25/h7-10,15-16,19H,4-6,11-14H2,1-3H3,(H,24,25)