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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-chloranylethanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-chloroethanethioate CAS Name: 2-chloroethanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-chloroethanethioate Traditional Name: 2-chloroethanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C13H22ClNO2S MolecularWeight: 291.83728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C13H22ClNO2S/c1-2-3-4-5-6-7-9-15-12(16)8-10-18-13(17)11-14/h8,10H,2-7,9,11H2,1H3,(H,15,16)/b10-8+