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

Systemtic Name: 3,7-dimethyloctyl (1E)-N-ethoxycarbonyl-1-(phenylmethylsulfanyl)methanimidate Openeye Name: 3,7-dimethyloctyl (1E)-1-benzylsulfanyl-N-ethoxycarbonyl-methanimidate CAS Name: (1E)-N-ethoxycarbonyl-1-(phenylmethylthio)methanimidic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl (1E)-1-benzylsulfanyl-N-ethoxycarbonylmethanimidate Traditional Name: (1E)-1-(benzylthio)-N-carbethoxy-formimidic acid 3,7-dimethyloctyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(OCCC(C)CCCC(C)C)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/N=C(\OCCC(C)CCCC(C)C)/SCC1=CC=CC=C1

InChI

InChI=1S/C21H33NO3S/c1-5-24-20(23)22-21(26-16-19-12-7-6-8-13-19)25-15-14-18(4)11-9-10-17(2)3/h6-8,12-13,17-18H,5,9-11,14-16H2,1-4H3/b22-21+