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S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-ethylhexanethioate

S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-ethylhexanethioate

Systemtic Name:S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-ethylhexanethioate
Openeye Name:S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-ethylhexanethioate
CAS Name:2-ethylhexanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester
IUPAC Name:S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-ethylhexanethioate
Traditional Name:2-ethylhexanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester
Formula: C19H35NO2S
MolecularWeight: 341.5517
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C(CC)CCCC


Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C(CC)CCCC


InChI

InChI=1S/C19H35NO2S/c1-4-7-9-10-11-12-15-20-18(21)14-16-23-19(22)17(6-3)13-8-5-2/h14,16-17H,4-13,15H2,1-3H3,(H,20,21)/b16-14+


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