S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] cyclohexene-1-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] cyclohexene-1-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] cyclohexene-1-carbothioate CAS Name: 1-cyclohexenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] cyclohexene-1-carbothioate Traditional Name: cyclohexene-1-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C18H29NO2S MolecularWeight: 323.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CCCCC1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CCCCC1

InChI

InChI=1S/C18H29NO2S/c1-2-3-4-5-6-10-14-19-17(20)13-15-22-18(21)16-11-8-7-9-12-16/h11,13,15H,2-10,12,14H2,1H3,(H,19,20)/b15-13+