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

Systemtic Name: 3-[2-(1-benzofuran-2-yl)ethanoyl]-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 3-[2-(benzofuran-2-yl)acetyl]-1-(pyrrolidine-2-carbonyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 3-[2-(2-benzofuranyl)-1-oxoethyl]-1-[oxo(2-pyrrolidinyl)methyl]-4-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 3-[2-(1-benzofuran-2-yl)acetyl]-1-(pyrrolidine-2-carbonyl)-4-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 3-[2-(benzofuran-2-yl)acetyl]-1-prolyl-4-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N2O4S2/c23-14(9-12-8-11-4-1-2-6-15(11)26-12)17-16(27)10-22(18(17)20(25)28)19(24)13-5-3-7-21-13/h1-2,4,6,8,13,17-18,21H,3,5,7,9-10H2,(H,25,28)