2-[5-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[5-[2-(benzyloxycarbonylamino)ethylsulfonyl]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[5-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[5-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[5-[2-(benzyloxycarbonylamino)ethylsulfonyl]coumaran-3-yl]acetic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)S(=O)(=O)CCNC(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)S(=O)(=O)CCNC(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H21NO7S/c22-19(23)10-15-13-27-18-7-6-16(11-17(15)18)29(25,26)9-8-21-20(24)28-12-14-4-2-1-3-5-14/h1-7,11,15H,8-10,12-13H2,(H,21,24)(H,22,23)