ethyl 4-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylbutanoate

Systemtic Name: ethyl 4-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylbutanoate Openeye Name: ethyl 4-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylbutanoate CAS Name: 4-[[(E)-ethoxycarbonylimino(3,5,5-trimethylhexoxy)methyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-N-ethoxycarbonyl-C-(3,5,5-trimethylhexoxy)carbonimidoyl]sulfanylbutanoate Traditional Name: 4-[[(E)-N-carbethoxy-C-(3,5,5-trimethylhexoxy)carbonimidoyl]thio]butyric acid ethyl ester Formula: C19H35NO5S MolecularWeight: 389.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC(=NC(=O)OCC)OCCC(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)CCCS/C(=N/C(=O)OCC)/OCCC(C)CC(C)(C)C

InChI

InChI=1S/C19H35NO5S/c1-7-23-16(21)10-9-13-26-18(20-17(22)24-8-2)25-12-11-15(3)14-19(4,5)6/h15H,7-14H2,1-6H3/b20-18+