3-[3-[2-(1H-inden-2-yl)ethanoyl]-4-sulfanylidene-pyrrolidin-2-yl]carbonylpyrrolidine-2-carbothioic S-acid

Systemtic Name: 3-[3-[2-(1H-inden-2-yl)ethanoyl]-4-sulfanylidene-pyrrolidin-2-yl]carbonylpyrrolidine-2-carbothioic S-acid Openeye Name: 3-[3-[2-(1H-inden-2-yl)acetyl]-4-thioxo-pyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid CAS Name: 3-[[3-[2-(1H-inden-2-yl)-1-oxoethyl]-4-sulfanylidene-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 3-[3-[2-(1H-inden-2-yl)acetyl]-4-sulfanylidenepyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 3-[3-[2-(1H-inden-2-yl)acetyl]-4-thioxo-prolyl]pyrrolidine-2-carbothioic S-acid Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1C(=O)C2C(C(=S)CN2)C(=O)CC3=CC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CNC(C1C(=O)C2C(C(=S)CN2)C(=O)CC3=CC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C21H22N2O3S2/c24-15(9-11-7-12-3-1-2-4-13(12)8-11)17-16(27)10-23-19(17)20(25)14-5-6-22-18(14)21(26)28/h1-4,7,14,17-19,22-23H,5-6,8-10H2,(H,26,28)