2-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylethanoic acid Openeye Name: 2-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylacetic acid CAS Name: 2-[[(E)-ethoxycarbonylimino(3,5,5-trimethylhexoxy)methyl]thio]acetic acid IUPAC Name: 2-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylacetic acid Traditional Name: 2-[[(E)-N-carbethoxy-C-(3,5,5-trimethylhexoxy)carbonimidoyl]thio]acetic acid Formula: C15H27NO5S MolecularWeight: 333.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(OCCC(C)CC(C)(C)C)SCC(=O)O

Isomeric SMILES

CCOC(=O)/N=C(\OCCC(C)CC(C)(C)C)/SCC(=O)O

InChI

InChI=1S/C15H27NO5S/c1-6-20-13(19)16-14(22-10-12(17)18)21-8-7-11(2)9-15(3,4)5/h11H,6-10H2,1-5H3,(H,17,18)/b16-14+