2-[5-(1-benzofuran-2-yl)pentanoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[5-(1-benzofuran-2-yl)pentanoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[5-(benzofuran-2-yl)pentanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid CAS Name: 2-[5-(2-benzofuranyl)-1-oxopentyl]-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[5-(1-benzofuran-2-yl)pentanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid Traditional Name: 2-[5-(benzofuran-2-yl)pentanoyl]-1-prolyl-pyrrolidine-2-carbothioic S-acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCCCC3=CC4=CC=CC=C4O3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCCCC3=CC4=CC=CC=C4O3)C(=O)S

InChI

InChI=1S/C23H28N2O4S/c26-20(11-4-2-8-17-15-16-7-1-3-10-19(16)29-17)23(22(28)30)12-6-14-25(23)21(27)18-9-5-13-24-18/h1,3,7,10,15,18,24H,2,4-6,8-9,11-14H2,(H,28,30)