(1S,3R)-1,3-dimethyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Systemtic Name: (1S,3R)-1,3-dimethyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: (1S,3R)-1,3-dimethyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: (1S,3R)-1,3-dimethyl-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: (1S,3R)-1,3-dimethyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: (1S,3R)-1,3-dimethyl-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C18H19NOS MolecularWeight: 297.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2C(N1C=O)C)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C(C2=CC=CC=C2[C@@H](N1C=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C18H19NOS/c1-13-16-10-6-7-11-17(16)18(14(2)19(13)12-20)21-15-8-4-3-5-9-15/h3-14,18H,1-2H3/t13-,14+,18?/m0/s1