3-(1-benzofuran-2-ylcarbonyl)-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 3-(benzofuran-2-carbonyl)-1-(pyrrolidine-2-carbonyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[oxo(2-pyrrolidinyl)methyl]-4-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(pyrrolidine-2-carbonyl)-4-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 3-(benzofuran-2-carbonyl)-1-prolyl-4-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N2O4S2/c22-17(13-8-10-4-1-2-6-12(10)25-13)15-14(26)9-21(16(15)19(24)27)18(23)11-5-3-7-20-11/h1-2,4,6,8,11,15-16,20H,3,5,7,9H2,(H,24,27)