2-[5-(1-benzofuran-2-yl)pentanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[5-(1-benzofuran-2-yl)pentanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[5-(benzofuran-2-yl)pentanoyl]-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[5-(2-benzofuranyl)-1-oxopentyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[5-(1-benzofuran-2-yl)pentanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-[5-(benzofuran-2-yl)pentanoyl]-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCC3=CC4=CC=CC=C4O3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCC3=CC4=CC=CC=C4O3)C(=O)S

InChI

InChI=1S/C23H26N2O4S2/c26-19(10-4-2-7-16-14-15-6-1-3-9-18(15)29-16)23(22(28)31)20(30)11-13-25(23)21(27)17-8-5-12-24-17/h1,3,6,9,14,17,24H,2,4-5,7-8,10-13H2,(H,28,31)