(3aS,4R,5S,7aS)-N-(3-bromophenyl)-5,6-dimethyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxamide

Systemtic Name: (3aS,4R,5S,7aS)-N-(3-bromophenyl)-5,6-dimethyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxamide Openeye Name: (3aS,4R,5S,7aS)-N-(3-bromophenyl)-5,6-dimethyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxamide CAS Name: (3aS,4R,5S,7aS)-N-(3-bromophenyl)-5,6-dimethyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxamide IUPAC Name: (3aS,4R,5S,7aS)-N-(3-bromophenyl)-5,6-dimethyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxamide Traditional Name: (3aS,4R,5S,7aS)-N-(3-bromophenyl)-3-keto-5,6-dimethyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxamide Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C(COC2=O)C=C1C)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H]1[C@H]([C@@H]2[C@@H](COC2=O)C=C1C)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H18BrNO3/c1-9-6-11-8-22-17(21)15(11)14(10(9)2)16(20)19-13-5-3-4-12(18)7-13/h3-7,10-11,14-15H,8H2,1-2H3,(H,19,20)/t10-,11-,14-,15+/m1/s1