N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide

Systemtic Name: N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Openeye Name: N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide CAS Name: N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-4-pentenamide IUPAC Name: N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Traditional Name: N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-coumaran-2-yl]methyl]pent-4-enamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=NC4=CC=CC=C4S3)OC(C2)CNC(=O)CCC=C

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=NC4=CC=CC=C4S3)O[C@H](C2)CNC(=O)CCC=C

InChI

InChI=1S/C22H22N2O2S/c1-3-4-9-20(25)23-13-16-12-15-10-14(2)11-17(21(15)26-16)22-24-18-7-5-6-8-19(18)27-22/h3,5-8,10-11,16H,1,4,9,12-13H2,2H3,(H,23,25)/t16-/m1/s1