(2S)-2-acetamido-N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-coumaran-2-yl]methyl]-4-(methylthio)butyramide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S2/c1-14-10-16-12-17(13-25-23(29)20(8-9-31-3)26-15(2)28)30-22(16)18(11-14)24-27-19-6-4-5-7-21(19)32-24/h4-7,10-11,17,20H,8-9,12-13H2,1-3H3,(H,25,29)(H,26,28)/t17?,20-/m0/s1