ethyl 1-(2-azanylpropanoyl)-1-[(2-sulfanylidene-1H-pyridin-4-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(2-azanylpropanoyl)-1-[(2-sulfanylidene-1H-pyridin-4-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(2-aminopropanoyl)-1-(2-thioxo-1H-pyridine-4-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-1-[oxo-(2-sulfanylidene-1H-pyridin-4-yl)methyl]-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-aminopropanoyl)-1-(2-sulfanylidene-1H-pyridine-4-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-alanyl-1-(2-thioxo-1H-pyridine-4-carbonyl)pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H22N3O4S+ MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC(=S)NC=C2)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC(=S)NC=C2)C(=O)C(C)N

InChI

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