(E)-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[(2R)-7-(4-mesylphenyl)coumaran-2-yl]methyl]-3-(2-thienyl)acrylamide Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C=CC4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C23H21NO4S2/c1-30(26,27)20-10-7-16(8-11-20)21-6-2-4-17-14-18(28-23(17)21)15-24-22(25)12-9-19-5-3-13-29-19/h2-13,18H,14-15H2,1H3,(H,24,25)/b12-9+/t18-/m1/s1