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

Systemtic Name: 2-[3-(1-benzofuran-2-yl)propanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[3-(benzofuran-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[3-(2-benzofuranyl)-1-oxopropyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[3-(1-benzofuran-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-[3-(benzofuran-2-yl)propanoyl]-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCC3=CC4=CC=CC=C4O3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCC3=CC4=CC=CC=C4O3)C(=O)S

InChI

InChI=1S/C21H22N2O4S2/c24-17(8-7-14-12-13-4-1-2-6-16(13)27-14)21(20(26)29)18(28)9-11-23(21)19(25)15-5-3-10-22-15/h1-2,4,6,12,15,22H,3,5,7-11H2,(H,26,29)