3-[1-[3-(5-nitro-2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbothioic S-acid

Systemtic Name: 3-[1-[3-(5-nitro-2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbothioic S-acid Openeye Name: 3-[1-[3-(5-nitroindan-2-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid CAS Name: 3-[[1-[3-(5-nitro-2,3-dihydro-1H-inden-2-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 3-[1-[3-(5-nitro-2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 3-[1-[3-(5-nitroindan-2-yl)propanoyl]prolyl]pyrrolidine-2-carbothioic S-acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2CC3=C(C2)C=C(C=C3)[N+](=O)[O-])C(=O)C4CCNC4C(=O)S

Isomeric SMILES

C1CC(N(C1)C(=O)CCC2CC3=C(C2)C=C(C=C3)[N+](=O)[O-])C(=O)C4CCNC4C(=O)S

InChI

InChI=1S/C22H27N3O5S/c26-19(6-3-13-10-14-4-5-16(25(29)30)12-15(14)11-13)24-9-1-2-18(24)21(27)17-7-8-23-20(17)22(28)31/h4-5,12-13,17-18,20,23H,1-3,6-11H2,(H,28,31)