2-[6-(2,3-dihydro-1H-inden-2-yl)hexanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[6-(2,3-dihydro-1H-inden-2-yl)hexanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-(6-indan-2-ylhexanoyl)-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[6-(2,3-dihydro-1H-inden-2-yl)-1-oxohexyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[6-(2,3-dihydro-1H-inden-2-yl)hexanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-(6-indan-2-ylhexanoyl)-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C25H32N2O3S2 MolecularWeight: 472.66318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCCC3CC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCCC3CC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C25H32N2O3S2/c28-21(11-3-1-2-7-17-15-18-8-4-5-9-19(18)16-17)25(24(30)32)22(31)12-14-27(25)23(29)20-10-6-13-26-20/h4-5,8-9,17,20,26H,1-3,6-7,10-16H2,(H,30,32)