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

Systemtic Name: (3R)-N-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-[(2-methylquinazolin-4-yl)thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H17N3O4S/c1-12-21-14-7-3-2-6-13(14)20(22-12)28-11-18(24)23-19(25)17-10-26-15-8-4-5-9-16(15)27-17/h2-9,17H,10-11H2,1H3,(H,23,24,25)/t17-/m1/s1