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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] propanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] propanethioate CAS Name: propanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] propanethioate Traditional Name: propanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C14H25NO2S MolecularWeight: 271.4188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO2S/c1-3-5-6-7-8-9-11-15-13(16)10-12-18-14(17)4-2/h10,12H,3-9,11H2,1-2H3,(H,15,16)/b12-10+