(3R)-N-[2-(4-acetamidophenyl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-(4-acetamidophenyl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(4-acetamidophenyl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(4-acetamidophenyl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-[(4-acetamidophenyl)thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H18N2O5S/c1-12(22)20-13-6-8-14(9-7-13)27-11-18(23)21-19(24)17-10-25-15-4-2-3-5-16(15)26-17/h2-9,17H,10-11H2,1H3,(H,20,22)(H,21,23,24)/t17-/m1/s1