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

Systemtic Name: 3-[2-(5-azanyl-2,3-dihydro-1H-inden-2-yl)ethanoyl]-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 3-[2-(5-aminoindan-2-yl)acetyl]-4-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 3-[2-(5-amino-2,3-dihydro-1H-inden-2-yl)-1-oxoethyl]-4-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[2-(5-amino-2,3-dihydro-1H-inden-2-yl)acetyl]-4-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 3-[2-(5-aminoindan-2-yl)acetyl]-4-thioxo-proline Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C1C=CC(=C2)N)CC(=O)C3C(NCC3=S)C(=O)O

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)N)CC(=O)C3C(NCC3=S)C(=O)O

InChI

InChI=1S/C16H18N2O3S/c17-11-2-1-9-3-8(4-10(9)6-11)5-12(19)14-13(22)7-18-15(14)16(20)21/h1-2,6,8,14-15,18H,3-5,7,17H2,(H,20,21)