(E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-pyridin-2-ylsulfanyl-hept-2-enoic acid

Systemtic Name: (E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-pyridin-2-ylsulfanyl-hept-2-enoic acid Openeye Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(2-pyridylsulfanyl)hept-2-enoic acid CAS Name: (E)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-(2-pyridinylthio)-2-heptenoic acid IUPAC Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-pyridin-2-ylsulfanylhept-2-enoic acid Traditional Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(2-pyridylthio)hept-2-enoic acid Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-18(2)12-13(18)16(21)20-14(17(22)23)8-4-3-7-11-24-15-9-5-6-10-19-15/h5-6,8-10,13H,3-4,7,11-12H2,1-2H3,(H,20,21)(H,22,23)/b14-8+