N-(2-methoxy-2-methylsulfanyl-5,6-dihydro-4H-3-benzothiocin-1-ylidene)hydroxylamine

Systemtic Name: N-(2-methoxy-2-methylsulfanyl-5,6-dihydro-4H-3-benzothiocin-1-ylidene)hydroxylamine Openeye Name: 2-methoxy-2-methylsulfanyl-5,6-dihydro-4H-3-benzothiocin-1-one oxime CAS Name: 2-methoxy-2-(methylthio)-5,6-dihydro-4H-3-benzothiocin-1-one oxime IUPAC Name: N-(2-methoxy-2-methylsulfanyl-5,6-dihydro-4H-3-benzothiocin-1-ylidene)hydroxylamine Traditional Name: 2-methoxy-2-(methylthio)-5,6-dihydro-4H-3-benzothiocin-1-one oxime Formula: C13H17NO2S2 MolecularWeight: 283.40958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=NO)C2=CC=CC=C2CCCS1)SC

Isomeric SMILES

COC1(C(=NO)C2=CC=CC=C2CCCS1)SC

InChI

InChI=1S/C13H17NO2S2/c1-16-13(17-2)12(14-15)11-8-4-3-6-10(11)7-5-9-18-13/h3-4,6,8,15H,5,7,9H2,1-2H3