(E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]but-3-enoate Formula: C22H20NO4S- MolecularWeight: 394.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(CC(=O)[O-])C3=NC4=CC=CC=C4S3)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4S3)O[C@H](C2)C

InChI

InChI=1S/C22H21NO4S/c1-3-26-18-10-14-8-13(2)27-19(14)11-15(18)9-16(12-21(24)25)22-23-17-6-4-5-7-20(17)28-22/h4-7,9-11,13H,3,8,12H2,1-2H3,(H,24,25)/p-1/b16-9+/t13-/m0/s1