(3S,3aR,7aS)-1-methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one

Systemtic Name: (3S,3aR,7aS)-1-methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one Openeye Name: (3S,3aR,7aS)-1-methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one CAS Name: (3S,3aR,7aS)-1-methyl-3-(phenylthio)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one IUPAC Name: (3S,3aR,7aS)-1-methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one Traditional Name: (3S,3aR,7aS)-1-methyl-3-(phenylthio)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one Formula: C15H19NOS MolecularWeight: 261.38246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCCC2C(C1=O)SC3=CC=CC=C3

Isomeric SMILES

CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)SC3=CC=CC=C3

InChI

InChI=1S/C15H19NOS/c1-16-13-10-6-5-9-12(13)14(15(16)17)18-11-7-3-2-4-8-11/h2-4,7-8,12-14H,5-6,9-10H2,1H3/t12-,13+,14+/m1/s1