2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-thiophen-2-yl-ethanenitrile

Systemtic Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-thiophen-2-yl-ethanenitrile Openeye Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(2-thienyl)acetonitrile CAS Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-thiophen-2-ylacetonitrile IUPAC Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-thiophen-2-ylacetonitrile Traditional Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(2-thienyl)acetonitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=CS3)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=CS3)C

InChI

InChI=1S/C19H22N2O2S/c1-19(2)22-13-16(18(23-19)14-8-5-4-6-9-14)21(3)15(12-20)17-10-7-11-24-17/h4-11,15-16,18H,13H2,1-3H3/t15?,16-,18-/m0/s1