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

Systemtic Name: (E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-ethoxysulfanylcarbonylsulfanyl-oct-2-enoic acid Openeye Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-ethoxysulfanylcarbonylsulfanyl-oct-2-enoic acid CAS Name: (E)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-8-[[(ethoxythio)-oxomethyl]thio]-2-octenoic acid IUPAC Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-ethoxysulfanylcarbonylsulfanyloct-2-enoic acid Traditional Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-[(ethoxythio)carbonylthio]oct-2-enoic acid Formula: C17H27NO5S2 MolecularWeight: 389.52998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5S2/c1-4-23-25-16(22)24-10-8-6-5-7-9-13(15(20)21)18-14(19)12-11-17(12,2)3/h9,12H,4-8,10-11H2,1-3H3,(H,18,19)(H,20,21)/b13-9+