2-ethanoyl-4-(2-oxidanylidenepyrrolidin-1-yl)-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbaldehyde

Systemtic Name: 2-ethanoyl-4-(2-oxidanylidenepyrrolidin-1-yl)-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbaldehyde Openeye Name: 2-acetyl-4-(2-oxopyrrolidin-1-yl)-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbaldehyde CAS Name: 2-acetyl-4-(2-oxo-1-pyrrolidinyl)-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarboxaldehyde IUPAC Name: 2-acetyl-4-(2-oxopyrrolidin-1-yl)-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbaldehyde Traditional Name: 2-acetyl-4-(2-ketopyrrolidino)-1-prolyl-3-thioxo-pyrrolidine-2-carbaldehyde Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(=S)C(CN1C(=O)C2CCCN2)N3CCCC3=O)C=O

Isomeric SMILES

CC(=O)C1(C(=S)C(CN1C(=O)C2CCCN2)N3CCCC3=O)C=O

InChI

InChI=1S/C16H21N3O4S/c1-10(21)16(9-20)14(24)12(18-7-3-5-13(18)22)8-19(16)15(23)11-4-2-6-17-11/h9,11-12,17H,2-8H2,1H3