2-[(E)-1-[(4-methylpyridin-2-yl)oxyamino]-1-oxidanylidene-hex-4-en-2-yl]sulfanylethyl 3-methylbutanoate

Systemtic Name: 2-[(E)-1-[(4-methylpyridin-2-yl)oxyamino]-1-oxidanylidene-hex-4-en-2-yl]sulfanylethyl 3-methylbutanoate Openeye Name: 2-[(E)-1-[(4-methyl-2-pyridyl)oxycarbamoyl]pent-3-enyl]sulfanylethyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 2-[[(E)-1-[(4-methyl-2-pyridinyl)oxyamino]-1-oxohex-4-en-2-yl]thio]ethyl ester IUPAC Name: 2-[(E)-1-[(4-methylpyridin-2-yl)oxyamino]-1-oxohex-4-en-2-yl]sulfanylethyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 2-[[(E)-1-[(4-methyl-2-pyridyl)oxycarbamoyl]pent-3-enyl]thio]ethyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C(=O)NOC1=NC=CC(=C1)C)SCCOC(=O)CC(C)C

Isomeric SMILES

C/C=C/CC(C(=O)NOC1=NC=CC(=C1)C)SCCOC(=O)CC(C)C

InChI

InChI=1S/C19H28N2O4S/c1-5-6-7-16(26-11-10-24-18(22)12-14(2)3)19(23)21-25-17-13-15(4)8-9-20-17/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3,(H,21,23)/b6-5+