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

Systemtic Name: 2-[4-(1H-inden-2-yl)butanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[4-(1H-inden-2-yl)butanoyl]-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[4-(1H-inden-2-yl)-1-oxobutyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[4-(1H-inden-2-yl)butanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-[4-(1H-inden-2-yl)butanoyl]-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCC3=CC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCC3=CC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C23H26N2O3S2/c26-19(9-3-5-15-13-16-6-1-2-7-17(16)14-15)23(22(28)30)20(29)10-12-25(23)21(27)18-8-4-11-24-18/h1-2,6-7,13,18,24H,3-5,8-12,14H2,(H,28,30)