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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] furan-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] furan-2-carbothioate CAS Name: 2-furancarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] furan-2-carbothioate Traditional Name: furan-2-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=CO1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=CO1

InChI

InChI=1S/C16H23NO3S/c1-2-3-4-5-6-7-11-17-15(18)10-13-21-16(19)14-9-8-12-20-14/h8-10,12-13H,2-7,11H2,1H3,(H,17,18)/b13-10+