hexyl 2-[3-(aminomethyl)-4,6-dimethyl-pyridin-2-yl]sulfanylprop-2-enoate

Systemtic Name: hexyl 2-[3-(aminomethyl)-4,6-dimethyl-pyridin-2-yl]sulfanylprop-2-enoate Openeye Name: hexyl 2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridyl]sulfanyl]prop-2-enoate CAS Name: 2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]thio]-2-propenoic acid hexyl ester IUPAC Name: hexyl 2-[3-(aminomethyl)-4,6-dimethylpyridin-2-yl]sulfanylprop-2-enoate Traditional Name: 2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridyl]thio]acrylic acid hexyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=C)SC1=C(C(=CC(=N1)C)C)CN

Isomeric SMILES

CCCCCCOC(=O)C(=C)SC1=C(C(=CC(=N1)C)C)CN

InChI

InChI=1S/C17H26N2O2S/c1-5-6-7-8-9-21-17(20)14(4)22-16-15(11-18)12(2)10-13(3)19-16/h10H,4-9,11,18H2,1-3H3