[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClNO6/c1-11(19(23)22-9-12-2-4-16-17(6-12)26-10-25-16)27-20(24)18-8-13-7-14(21)3-5-15(13)28-18/h2-8,11H,9-10H2,1H3,(H,22,23)/t11-/m0/s1