3-(dimethylaminomethyl)-1-methyl-5H-thieno[3,4-c][2]benzothiepin-10-one; sulfuric acid

Systemtic Name: 3-(dimethylaminomethyl)-1-methyl-5H-thieno[3,4-c][2]benzothiepin-10-one; sulfuric acid Openeye Name: 3-(dimethylaminomethyl)-1-methyl-5H-thieno[3,4-c][2]benzothiepin-10-one; sulfuric acid CAS Name: 3-(dimethylaminomethyl)-1-methyl-5H-thieno[3,4-c][2]benzothiepin-10-one; sulfuric acid IUPAC Name: 3-(dimethylaminomethyl)-1-methyl-5H-thieno[3,4-c][2]benzothiepin-10-one; sulfuric acid Traditional Name: 3-(dimethylaminomethyl)-1-methyl-5H-thieno[3,4-c][2]benzothiepin-10-one; sulfuric acid Formula: C16H19NO5S3 MolecularWeight: 401.52076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)CN(C)C)SCC3=CC=CC=C3C2=O.OS(=O)(=O)O

Isomeric SMILES

CC1=C2C(=C(S1)CN(C)C)SCC3=CC=CC=C3C2=O.OS(=O)(=O)O

InChI

InChI=1S/C16H17NOS2.H2O4S/c1-10-14-15(18)12-7-5-4-6-11(12)9-19-16(14)13(20-10)8-17(2)3;1-5(2,3)4/h4-7H,8-9H2,1-3H3;(H2,1,2,3,4)