(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-(3-oxidanylpyridin-2-yl)sulfanyl-hept-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-(3-oxidanylpyridin-2-yl)sulfanyl-hept-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-[(3-hydroxy-2-pyridyl)sulfanyl]hept-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-[(3-hydroxy-2-pyridinyl)thio]-2-heptenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(3-hydroxypyridin-2-yl)sulfanylhept-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-[(3-hydroxy-2-pyridyl)thio]hept-2-enoic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCSC2=C(C=CC=N2)O)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCSC2=C(C=CC=N2)O)/C(=O)O)C

InChI

InChI=1S/C18H24N2O4S/c1-18(2)11-12(18)15(22)20-13(17(23)24)7-4-3-5-10-25-16-14(21)8-6-9-19-16/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,20,22)(H,23,24)/b13-7-