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

Systemtic Name: 2-[3-(1H-inden-2-yl)propanoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[3-(1H-inden-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid CAS Name: 2-[3-(1H-inden-2-yl)-1-oxopropyl]-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[3-(1H-inden-2-yl)propanoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbothioic S-acid Traditional Name: 2-[3-(1H-inden-2-yl)propanoyl]-1-prolyl-pyrrolidine-2-carbothioic S-acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCC3=CC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2(C(=O)CCC3=CC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C22H26N2O3S/c25-19(9-8-15-13-16-5-1-2-6-17(16)14-15)22(21(27)28)10-4-12-24(22)20(26)18-7-3-11-23-18/h1-2,5-6,13,18,23H,3-4,7-12,14H2,(H,27,28)