(3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole

Systemtic Name: (3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole Openeye Name: (3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole CAS Name: (3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole IUPAC Name: (3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole Traditional Name: (3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole Formula: C13H15NS MolecularWeight: 217.3299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N=C(S2)C3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]2[C@H](C1)N=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C13H15NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+/m0/s1