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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] but-3-enethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] but-3-enethioate CAS Name: 3-butenethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] but-3-enethioate Traditional Name: but-3-enethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2S/c1-3-5-6-7-8-9-12-16-14(17)11-13-19-15(18)10-4-2/h4,11,13H,2-3,5-10,12H2,1H3,(H,16,17)/b13-11+