(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27NO6S/c1-3-28-21-13-18-11-16(2)30-22(18)14-19(21)15-29-23(25)17-7-6-8-20(12-17)31(26,27)24-9-4-5-10-24/h6-8,12-14,16H,3-5,9-11,15H2,1-2H3