(3S,5S)-N-(4-ethoxyphenyl)-5-methyl-thian-3-amine

Systemtic Name: (3S,5S)-N-(4-ethoxyphenyl)-5-methyl-thian-3-amine Openeye Name: (3S,5S)-N-(4-ethoxyphenyl)-5-methyl-tetrahydrothiopyran-3-amine CAS Name: (3S,5S)-N-(4-ethoxyphenyl)-5-methyl-3-thianamine IUPAC Name: (3S,5S)-N-(4-ethoxyphenyl)-5-methylthian-3-amine Traditional Name: [(3S,5S)-5-methyltetrahydrothiopyran-3-yl]-p-phenetyl-amine Formula: C14H21NOS MolecularWeight: 251.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2CC(CSC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N[C@H]2C[C@@H](CSC2)C

InChI

InChI=1S/C14H21NOS/c1-3-16-14-6-4-12(5-7-14)15-13-8-11(2)9-17-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3/t11-,13-/m0/s1