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

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

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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=C4C3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)CC3=CC4=CC=CC=C4C3

InChI

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