ethyl (3S)-4-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[2-(isopropylcarbamoylamino)-2-keto-ethyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C13H24N3O4S+ MolecularWeight: 318.41236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CC(=O)NC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C13H23N3O4S/c1-4-20-12(18)10-8-21-6-5-16(10)7-11(17)15-13(19)14-9(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19)/p+1/t10-/m1/s1