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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-benzothiophene-5-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-benzothiophene-5-carbothioate CAS Name: 2-benzothiophene-5-carbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-benzothiophene-5-carbothioate Traditional Name: isobenzothiophene-5-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC2=CSC=C2C=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC2=CSC=C2C=C1

InChI

InChI=1S/C20H25NO2S2/c1-2-3-4-5-6-7-11-21-19(22)10-12-25-20(23)16-8-9-17-14-24-15-18(17)13-16/h8-10,12-15H,2-7,11H2,1H3,(H,21,22)/b12-10+