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

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

Systemtic Name:2-[4-(1-benzofuran-2-yl)butanoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carbothioic S-acid
Openeye Name:2-[4-(benzofuran-2-yl)butanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid
CAS Name:2-[4-(2-benzofuranyl)-1-oxobutyl]-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinecarbothioic S-acid
IUPAC Name:2-[4-(1-benzofuran-2-yl)butanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid
Traditional Name:2-[4-(benzofuran-2-yl)butanoyl]-1-prolyl-pyrrolidine-2-carbothioic S-acid
Formula: C22H26N2O4S
MolecularWeight: 414.51784
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCCC3=CC4=CC=CC=C4O3)C(=O)S


Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCCC3=CC4=CC=CC=C4O3)C(=O)S


InChI

InChI=1S/C22H26N2O4S/c25-19(10-3-7-16-14-15-6-1-2-9-18(15)28-16)22(21(27)29)11-5-13-24(22)20(26)17-8-4-12-23-17/h1-2,6,9,14,17,23H,3-5,7-8,10-13H2,(H,27,29)


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