[4-acetyloxy-5-[5-chloranyl-6-methylsulfanyl-2-(propan-2-ylamino)benzimidazol-1-yl]-2-methyl-oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-[5-chloranyl-6-methylsulfanyl-2-(propan-2-ylamino)benzimidazol-1-yl]-2-methyl-oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-[5-chloro-2-(isopropylamino)-6-methylsulfanyl-benzimidazol-1-yl]-2-methyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-[5-chloro-6-(methylthio)-2-(propan-2-ylamino)-1-benzimidazolyl]-2-methyl-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-[5-chloro-6-methylsulfanyl-2-(propan-2-ylamino)benzimidazol-1-yl]-2-methyloxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-[5-chloro-2-(isopropylamino)-6-(methylthio)benzimidazol-1-yl]-2-methyl-tetrahydrofuran-3-yl] ester Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C3=CC(=C(C=C3N=C2NC(C)C)Cl)SC)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1C(C(C(O1)N2C3=CC(=C(C=C3N=C2NC(C)C)Cl)SC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H26ClN3O5S/c1-9(2)22-20-23-14-7-13(21)16(30-6)8-15(14)24(20)19-18(29-12(5)26)17(10(3)27-19)28-11(4)25/h7-10,17-19H,1-6H3,(H,22,23)