3,7-dimethyloctyl (1E)-1-(2-cyanoethylsulfanyl)-N-ethoxycarbonyl-methanimidate

Systemtic Name: 3,7-dimethyloctyl (1E)-1-(2-cyanoethylsulfanyl)-N-ethoxycarbonyl-methanimidate Openeye Name: 3,7-dimethyloctyl (1E)-1-(2-cyanoethylsulfanyl)-N-ethoxycarbonyl-methanimidate CAS Name: (1E)-1-(2-cyanoethylthio)-N-ethoxycarbonylmethanimidic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl (1E)-1-(2-cyanoethylsulfanyl)-N-ethoxycarbonylmethanimidate Traditional Name: (1E)-N-carbethoxy-1-(2-cyanoethylthio)formimidic acid 3,7-dimethyloctyl ester Formula: C17H30N2O3S MolecularWeight: 342.4967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(OCCC(C)CCCC(C)C)SCCC#N

Isomeric SMILES

CCOC(=O)/N=C(\OCCC(C)CCCC(C)C)/SCCC#N

InChI

InChI=1S/C17H30N2O3S/c1-5-21-16(20)19-17(23-13-7-11-18)22-12-10-15(4)9-6-8-14(2)3/h14-15H,5-10,12-13H2,1-4H3/b19-17+