(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) thiocyanate

Systemtic Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) thiocyanate Openeye Name: (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl) thiocyanate CAS Name: thiocyanic acid (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) ester IUPAC Name: (2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl) thiocyanate Traditional Name: thiocyanic acid (2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl) ester Formula: C11H12N2OS2 MolecularWeight: 252.35578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)SC#N

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)SC#N

InChI

InChI=1S/C11H12N2OS2/c1-7(14)13-11-10(15-6-12)8-4-2-3-5-9(8)16-11/h2-5H2,1H3,(H,13,14)