O-ethyl N-[(E)-4-methylsulfinylbut-3-enyl]carbamothioate

Systemtic Name: O-ethyl N-[(E)-4-methylsulfinylbut-3-enyl]carbamothioate Openeye Name: O-ethyl N-[(E)-4-methylsulfinylbut-3-enyl]carbamothioate CAS Name: N-[(E)-4-methylsulfinylbut-3-enyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[(E)-4-methylsulfinylbut-3-enyl]carbamothioate Traditional Name: N-[(E)-4-methylsulfinylbut-3-enyl]thiocarbamic acid O-ethyl ester Formula: C8H15NO2S2 MolecularWeight: 221.3402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NCCC=CS(=O)C

Isomeric SMILES

CCOC(=S)NCC/C=C/S(=O)C

InChI

InChI=1S/C8H15NO2S2/c1-3-11-8(12)9-6-4-5-7-13(2)10/h5,7H,3-4,6H2,1-2H3,(H,9,12)/b7-5+