(3R)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[(5-methyl-2-thiophenyl)methyl]-N-phenethyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H23NO3S/c1-17-11-12-19(28-17)15-24(14-13-18-7-3-2-4-8-18)23(25)22-16-26-20-9-5-6-10-21(20)27-22/h2-12,22H,13-16H2,1H3/t22-/m1/s1