3-(2,3-dihydro-1H-inden-2-ylcarbonyl)-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 3-(2,3-dihydro-1H-inden-2-ylcarbonyl)-1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 3-(indane-2-carbonyl)-1-(pyrrolidine-2-carbonyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 3-[2,3-dihydro-1H-inden-2-yl(oxo)methyl]-1-[oxo(2-pyrrolidinyl)methyl]-4-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 3-(2,3-dihydro-1H-indene-2-carbonyl)-1-(pyrrolidine-2-carbonyl)-4-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 3-(indane-2-carbonyl)-1-prolyl-4-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)C3CC4=CC=CC=C4C3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C20H22N2O3S2/c23-18(13-8-11-4-1-2-5-12(11)9-13)16-15(26)10-22(17(16)20(25)27)19(24)14-6-3-7-21-14/h1-2,4-5,13-14,16-17,21H,3,6-10H2,(H,25,27)