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

Systemtic Name: 2-[3-(1-benzofuran-2-yl)propanoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[3-(benzofuran-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid CAS Name: 2-[3-(2-benzofuranyl)-1-oxopropyl]-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[3-(1-benzofuran-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid Traditional Name: 2-[3-(benzofuran-2-yl)propanoyl]-1-prolyl-pyrrolidine-2-carbothioic S-acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCC3=CC4=CC=CC=C4O3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCC3=CC4=CC=CC=C4O3)C(=O)S

InChI

InChI=1S/C21H24N2O4S/c24-18(9-8-15-13-14-5-1-2-7-17(14)27-15)21(20(26)28)10-4-12-23(21)19(25)16-6-3-11-22-16/h1-2,5,7,13,16,22H,3-4,6,8-12H2,(H,26,28)