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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-ethoxyethanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-ethoxyethanethioate CAS Name: 2-ethoxyethanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-ethoxyethanethioate Traditional Name: 2-ethoxyethanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C15H27NO3S MolecularWeight: 301.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)COCC

Isomeric SMILES

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

InChI

InChI=1S/C15H27NO3S/c1-3-5-6-7-8-9-11-16-14(17)10-12-20-15(18)13-19-4-2/h10,12H,3-9,11,13H2,1-2H3,(H,16,17)/b12-10+