(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-6-(3-oxidanylpyridin-2-yl)sulfanyl-hex-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-6-(3-oxidanylpyridin-2-yl)sulfanyl-hex-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-[(3-hydroxy-2-pyridyl)sulfanyl]hex-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-6-[(3-hydroxy-2-pyridinyl)thio]-2-hexenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-(3-hydroxypyridin-2-yl)sulfanylhex-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-[(3-hydroxy-2-pyridyl)thio]hex-2-enoic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCSC2=C(C=CC=N2)O)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCSC2=C(C=CC=N2)O)/C(=O)O)C

InChI

InChI=1S/C17H22N2O4S/c1-17(2)10-11(17)14(21)19-12(16(22)23)6-3-4-9-24-15-13(20)7-5-8-18-15/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,19,21)(H,22,23)/b12-6-