3-[2-(5-nitro-2,3-dihydro-1H-inden-2-yl)ethanoyl]-4-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[2-(5-nitro-2,3-dihydro-1H-inden-2-yl)ethanoyl]-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 3-[2-(5-nitroindan-2-yl)acetyl]-4-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 3-[2-(5-nitro-2,3-dihydro-1H-inden-2-yl)-1-oxoethyl]-4-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[2-(5-nitro-2,3-dihydro-1H-inden-2-yl)acetyl]-4-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 3-[2-(5-nitroindan-2-yl)acetyl]-4-thioxo-proline Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)C3C(NCC3=S)C(=O)O

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)C3C(NCC3=S)C(=O)O

InChI

InChI=1S/C16H16N2O5S/c19-12(14-13(24)7-17-15(14)16(20)21)5-8-3-9-1-2-11(18(22)23)6-10(9)4-8/h1-2,6,8,14-15,17H,3-5,7H2,(H,20,21)