ethyl 1-[2-[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[2-[(2-thioxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[1-oxo-2-[[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]amino]propyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(2-thioxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)C(C)NC(=O)C2=CC=CNC2=S

Isomeric SMILES

CCOC(=O)C1CCCN1C(=O)C(C)NC(=O)C2=CC=CNC2=S

InChI

InChI=1S/C16H21N3O4S/c1-3-23-16(22)12-7-5-9-19(12)15(21)10(2)18-13(20)11-6-4-8-17-14(11)24/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,17,24)(H,18,20)