(E)-2-(4-bromophenyl)sulfonyl-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-bromophenyl)sulfonyl-3-[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enenitrile Traditional Name: (E)-2-brosyl-3-[(2S)-5-methoxy-2-methyl-coumaran-6-yl]acrylonitrile Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C(=C2)OC)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CC2=C(O1)C=C(C(=C2)OC)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrNO4S/c1-12-7-13-9-18(24-2)14(10-19(13)25-12)8-17(11-21)26(22,23)16-5-3-15(20)4-6-16/h3-6,8-10,12H,7H2,1-2H3/b17-8+/t12-/m0/s1