2,3-dimethyl-5-methylsulfanyl-3,4-dihydro-2H-1,6-benzothiazocine

Systemtic Name: 2,3-dimethyl-5-methylsulfanyl-3,4-dihydro-2H-1,6-benzothiazocine Openeye Name: 2,3-dimethyl-5-methylsulfanyl-3,4-dihydro-2H-1,6-benzothiazocine CAS Name: 2,3-dimethyl-5-(methylthio)-3,4-dihydro-2H-1,6-benzothiazocine IUPAC Name: 2,3-dimethyl-5-methylsulfanyl-3,4-dihydro-2H-1,6-benzothiazocine Traditional Name: 2,3-dimethyl-5-(methylthio)-3,4-dihydro-2H-1,6-benzothiazocine Formula: C13H17NS2 MolecularWeight: 251.41078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NC2=CC=CC=C2SC1C)SC

Isomeric SMILES

CC1CC(=NC2=CC=CC=C2SC1C)SC

InChI

InChI=1S/C13H17NS2/c1-9-8-13(15-3)14-11-6-4-5-7-12(11)16-10(9)2/h4-7,9-10H,8H2,1-3H3