[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl ester IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(2S)-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=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27NO6S/c1-3-28-21-13-18-12-16(2)30-22(18)14-19(21)15-29-23(25)17-6-8-20(9-7-17)31(26,27)24-10-4-5-11-24/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m0/s1