3-[3-(5-azanyl-1H-inden-2-yl)propanoyl]-4-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[3-(5-azanyl-1H-inden-2-yl)propanoyl]-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 3-[3-(5-amino-1H-inden-2-yl)propanoyl]-4-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 3-[3-(5-amino-1H-inden-2-yl)-1-oxopropyl]-4-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-(5-amino-1H-inden-2-yl)propanoyl]-4-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 3-[3-(5-amino-1H-inden-2-yl)propanoyl]-4-thioxo-proline Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C1CCC(=O)C3C(NCC3=S)C(=O)O)C=C(C=C2)N

Isomeric SMILES

C1C2=C(C=C1CCC(=O)C3C(NCC3=S)C(=O)O)C=C(C=C2)N

InChI

InChI=1S/C17H18N2O3S/c18-12-3-2-10-5-9(6-11(10)7-12)1-4-13(20)15-14(23)8-19-16(15)17(21)22/h2-3,6-7,15-16,19H,1,4-5,8,18H2,(H,21,22)