S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] pent-4-enethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] pent-4-enethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] pent-4-enethioate CAS Name: 4-pentenethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] pent-4-enethioate Traditional Name: pent-4-enethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCC=C

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2S/c1-3-5-7-8-9-10-13-17-15(18)12-14-20-16(19)11-6-4-2/h4,12,14H,2-3,5-11,13H2,1H3,(H,17,18)/b14-12+