2-[(E)-C-(3,7-dimethyloctoxy)-N-ethoxycarbonyl-carbonimidoyl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-C-(3,7-dimethyloctoxy)-N-ethoxycarbonyl-carbonimidoyl]sulfanylethanoic acid Openeye Name: 2-[(E)-C-(3,7-dimethyloctoxy)-N-ethoxycarbonyl-carbonimidoyl]sulfanylacetic acid CAS Name: 2-[[(E)-3,7-dimethyloctoxy(ethoxycarbonylimino)methyl]thio]acetic acid IUPAC Name: 2-[(E)-C-(3,7-dimethyloctoxy)-N-ethoxycarbonylcarbonimidoyl]sulfanylacetic acid Traditional Name: 2-[[(E)-N-carbethoxy-C-(3,7-dimethyloctoxy)carbonimidoyl]thio]acetic acid Formula: C16H29NO5S MolecularWeight: 347.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO5S/c1-5-21-15(20)17-16(23-11-14(18)19)22-10-9-13(4)8-6-7-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,19)/b17-16+