(3R)-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-(4-tert-butylphenyl)-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O3S/c1-22(2,3)15-10-8-14(9-11-15)16-13-28-21(23-16)24-20(25)19-12-26-17-6-4-5-7-18(17)27-19/h4-11,13,19H,12H2,1-3H3,(H,23,24,25)/t19-/m1/s1