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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-methylthiophene-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-methylthiophene-2-carbothioate CAS Name: 3-methyl-2-thiophenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-methylthiophene-2-carbothioate Traditional Name: 3-methylthiophene-2-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C17H25NO2S2 MolecularWeight: 339.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=C(C=CS1)C

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=C(C=CS1)C

InChI

InChI=1S/C17H25NO2S2/c1-3-4-5-6-7-8-11-18-15(19)10-13-22-17(20)16-14(2)9-12-21-16/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19)/b13-10+