(4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine

Systemtic Name: (4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine Openeye Name: (4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine CAS Name: (4aR,8aS)-2-(methylthio)-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine IUPAC Name: (4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine Traditional Name: (4aR,8aS)-2-(methylthio)-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine Formula: C9H15NOS MolecularWeight: 185.2865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NCC2CCCCC2O1

Isomeric SMILES

CSC1=NC[C@H]2CCCC[C@@H]2O1

InChI

InChI=1S/C9H15NOS/c1-12-9-10-6-7-4-2-3-5-8(7)11-9/h7-8H,2-6H2,1H3/t7-,8+/m1/s1