ethyl 1-[2-[(2-sulfanylidene-1H-pyridin-4-yl)carbonylamino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[(2-sulfanylidene-1H-pyridin-4-yl)carbonylamino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[2-[(2-thioxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[1-oxo-2-[[oxo-(2-sulfanylidene-1H-pyridin-4-yl)methyl]amino]propyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-sulfanylidene-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(2-thioxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-23-16(22)12-5-4-8-19(12)15(21)10(2)18-14(20)11-6-7-17-13(24)9-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,24)(H,18,20)