2-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-(3-indan-2-ylpropanoyl)-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-(3-indan-2-ylpropanoyl)-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCC3CC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCC3CC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C22H26N2O3S2/c25-18(8-7-14-12-15-4-1-2-5-16(15)13-14)22(21(27)29)19(28)9-11-24(22)20(26)17-6-3-10-23-17/h1-2,4-5,14,17,23H,3,6-13H2,(H,27,29)