ethyl 4-[(methylsulfanylcarbothioylamino)methyl]benzoate

Systemtic Name: ethyl 4-[(methylsulfanylcarbothioylamino)methyl]benzoate Openeye Name: ethyl 4-[(methylsulfanylcarbothioylamino)methyl]benzoate CAS Name: 4-[[[(methylthio)-sulfanylidenemethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(methylsulfanylcarbothioylamino)methyl]benzoate Traditional Name: 4-[[(methylthio)carbothioylamino]methyl]benzoic acid ethyl ester Formula: C12H15NO2S2 MolecularWeight: 269.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=S)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=S)SC

InChI

InChI=1S/C12H15NO2S2/c1-3-15-11(14)10-6-4-9(5-7-10)8-13-12(16)17-2/h4-7H,3,8H2,1-2H3,(H,13,16)