S-octyl (E)-3-azanyl-3-ethylsulfanyl-prop-2-enethioate

Systemtic Name: S-octyl (E)-3-azanyl-3-ethylsulfanyl-prop-2-enethioate Openeye Name: S-octyl (E)-3-amino-3-ethylsulfanyl-prop-2-enethioate CAS Name: (E)-3-amino-3-(ethylthio)-2-propenethioic acid S-octyl ester IUPAC Name: S-octyl (E)-3-amino-3-ethylsulfanylprop-2-enethioate Traditional Name: (E)-3-amino-3-(ethylthio)prop-2-enethioic acid S-octyl ester Formula: C13H25NOS2 MolecularWeight: 275.4737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C=C(N)SCC

Isomeric SMILES

CCCCCCCCSC(=O)/C=C(\N)/SCC

InChI

InChI=1S/C13H25NOS2/c1-3-5-6-7-8-9-10-17-13(15)11-12(14)16-4-2/h11H,3-10,14H2,1-2H3/b12-11+