2-[4-(1-benzofuran-2-yl)butanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[4-(1-benzofuran-2-yl)butanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[4-(benzofuran-2-yl)butanoyl]-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[4-(2-benzofuranyl)-1-oxobutyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[4-(1-benzofuran-2-yl)butanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-[4-(benzofuran-2-yl)butanoyl]-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCC3=CC4=CC=CC=C4O3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCC3=CC4=CC=CC=C4O3)C(=O)S

InChI

InChI=1S/C22H24N2O4S2/c25-18(9-3-6-15-13-14-5-1-2-8-17(14)28-15)22(21(27)30)19(29)10-12-24(22)20(26)16-7-4-11-23-16/h1-2,5,8,13,16,23H,3-4,6-7,9-12H2,(H,27,30)