(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-[3-(1-tetrazolyl)phenyl]-2-propenamide IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-N-[3-(tetrazol-1-yl)phenyl]acrylamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)NC3=CC=CC(=C3)N4C=NN=N4)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)NC3=CC=CC(=C3)N4C=NN=N4)O[C@H](C2)C

InChI

InChI=1S/C21H21N5O3/c1-3-28-19-11-16-9-14(2)29-20(16)10-15(19)7-8-21(27)23-17-5-4-6-18(12-17)26-13-22-24-25-26/h4-8,10-14H,3,9H2,1-2H3,(H,23,27)/b8-7+/t14-/m0/s1