2-[(E)-C-(2-ethylhexoxy)-N-phenoxycarbonyl-carbonimidoyl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-C-(2-ethylhexoxy)-N-phenoxycarbonyl-carbonimidoyl]sulfanylethanoic acid Openeye Name: 2-[(E)-C-(2-ethylhexoxy)-N-phenoxycarbonyl-carbonimidoyl]sulfanylacetic acid CAS Name: 2-[[(E)-2-ethylhexoxy-[oxo(phenoxy)methyl]iminomethyl]thio]acetic acid IUPAC Name: 2-[(E)-C-(2-ethylhexoxy)-N-phenoxycarbonylcarbonimidoyl]sulfanylacetic acid Traditional Name: 2-[[(E)-N-carbophenoxy-C-(2-ethylhexoxy)carbonimidoyl]thio]acetic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=NC(=O)OC1=CC=CC=C1)SCC(=O)O

Isomeric SMILES

CCCCC(CC)CO/C(=N\C(=O)OC1=CC=CC=C1)/SCC(=O)O

InChI

InChI=1S/C18H25NO5S/c1-3-5-9-14(4-2)12-23-18(25-13-16(20)21)19-17(22)24-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,21)/b19-18+