(E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-ethanoylsulfanyl-oct-2-enoic acid

Systemtic Name: (E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-ethanoylsulfanyl-oct-2-enoic acid Openeye Name: (E)-8-acetylsulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid CAS Name: (E)-8-(acetylthio)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-octenoic acid IUPAC Name: (E)-8-acetylsulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid Traditional Name: (E)-8-(acetylthio)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C

Isomeric SMILES

CC(=O)SCCCCC/C=C(\C(=O)O)/NC(=O)C1CC1(C)C

InChI

InChI=1S/C16H25NO4S/c1-11(18)22-9-7-5-4-6-8-13(15(20)21)17-14(19)12-10-16(12,2)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,19)(H,20,21)/b13-8+