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

Systemtic Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-(prop-2-enylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-(allylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(prop-2-enylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-(prop-2-enylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(allylamino)-2-(2-pyridyl)-3-thioxo-propionic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-5-13-23-20(26)19(18-11-6-7-14-22-18)21(24)25-15-12-17(4)10-8-9-16(2)3/h5-7,9,11-12,14,19H,1,8,10,13,15H2,2-4H3,(H,23,26)/b17-12-