[(2Z)-3,7-dimethylocta-2,6-dienyl] 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-amino-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC(=O)C(C1=CC=CC=N1)C(=S)N)C)C

Isomeric SMILES

CC(=CCC/C(=C\COC(=O)C(C1=CC=CC=N1)C(=S)N)/C)C

InChI

InChI=1S/C18H24N2O2S/c1-13(2)7-6-8-14(3)10-12-22-18(21)16(17(19)23)15-9-4-5-11-20-15/h4-5,7,9-11,16H,6,8,12H2,1-3H3,(H2,19,23)/b14-10-