2,2-dimethylpropyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: 2,2-dimethylpropyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 2,2-dimethylpropyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid neopentyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(C1=CC=CC=N1)C(=S)N

Isomeric SMILES

CC(C)(C)COC(=O)C(C1=CC=CC=N1)C(=S)N

InChI

InChI=1S/C13H18N2O2S/c1-13(2,3)8-17-12(16)10(11(14)18)9-6-4-5-7-15-9/h4-7,10H,8H2,1-3H3,(H2,14,18)