S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 5-bromanylfuran-2-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 5-bromanylfuran-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 5-bromofuran-2-carbothioate CAS Name: 5-bromo-2-furancarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 5-bromofuran-2-carbothioate Traditional Name: 5-bromofuran-2-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=C(O1)Br

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=C(O1)Br

InChI

InChI=1S/C16H22BrNO3S/c1-2-3-4-5-6-7-11-18-15(19)10-12-22-16(20)13-8-9-14(17)21-13/h8-10,12H,2-7,11H2,1H3,(H,18,19)/b12-10+