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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-methoxyethanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-methoxyethanethioate CAS Name: 2-methoxyethanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-methoxyethanethioate Traditional Name: 2-methoxyethanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C14H25NO3S MolecularWeight: 287.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)COC

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO3S/c1-3-4-5-6-7-8-10-15-13(16)9-11-19-14(17)12-18-2/h9,11H,3-8,10,12H2,1-2H3,(H,15,16)/b11-9+