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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (E)-pent-2-enethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] (E)-pent-2-enethioate CAS Name: (E)-2-pentenethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] (E)-pent-2-enethioate Traditional Name: (E)-pent-2-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)C=CCC

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2S/c1-3-5-7-8-9-10-13-17-15(18)12-14-20-16(19)11-6-4-2/h6,11-12,14H,3-5,7-10,13H2,1-2H3,(H,17,18)/b11-6+,14-12+