(3R)-N-phenethyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-phenethyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-phenethyl-N-(2-thienylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-phenethyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-phenethyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-phenethyl-N-(2-thenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H21NO3S/c24-22(21-16-25-19-10-4-5-11-20(19)26-21)23(15-18-9-6-14-27-18)13-12-17-7-2-1-3-8-17/h1-11,14,21H,12-13,15-16H2/t21-/m1/s1