(E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-6-sulfanyl-hex-2-enoic acid

Systemtic Name: (E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-6-sulfanyl-hex-2-enoic acid Openeye Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-sulfanyl-hex-2-enoic acid CAS Name: (E)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-6-mercapto-2-hexenoic acid IUPAC Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-sulfanylhex-2-enoic acid Traditional Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-mercapto-hex-2-enoic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCS)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C/CCCS)/C(=O)O)C

InChI

InChI=1S/C12H19NO3S/c1-12(2)7-8(12)10(14)13-9(11(15)16)5-3-4-6-17/h5,8,17H,3-4,6-7H2,1-2H3,(H,13,14)(H,15,16)/b9-5+