(3R)-N-butyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-butyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-butyl-N-(thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-butyl-N-(2-thiazolylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-butyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-butyl-N-(thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC=CS1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCN(CC1=NC=CS1)C(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H20N2O3S/c1-2-3-9-19(11-16-18-8-10-23-16)17(20)15-12-21-13-6-4-5-7-14(13)22-15/h4-8,10,15H,2-3,9,11-12H2,1H3/t15-/m1/s1