1-[3-[2-(6-methylnaphthalen-2-yl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[2-(6-methylnaphthalen-2-yl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[2-(6-methyl-2-naphthyl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-[2-(6-methyl-2-naphthalenyl)-1-oxopropoxy]propylthio]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[2-(6-methylnaphthalen-2-yl)propanoyloxy]propylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[2-(6-methyl-2-naphthyl)propanoyloxy]propylthio]carbothioylproline Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C=C2)C(C)C(=O)OCCCSC(=S)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C=C2)C(C)C(=O)OCCCSC(=S)N3CCCC3C(=O)O

InChI

InChI=1S/C23H27NO4S2/c1-15-6-7-19-14-17(8-9-18(19)13-15)16(2)22(27)28-11-4-12-30-23(29)24-10-3-5-20(24)21(25)26/h6-9,13-14,16,20H,3-5,10-12H2,1-2H3,(H,25,26)