4-[[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoranyl-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,5-benzothiazepine

Systemtic Name: 4-[[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoranyl-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,5-benzothiazepine Openeye Name: 4-[[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,5-benzothiazepine CAS Name: 4-[[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,5-benzothiazepine IUPAC Name: 4-[[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,5-benzothiazepine Traditional Name: 4-[[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,5-benzothiazepine Formula: C22H23F6NO4S MolecularWeight: 511.477739

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2C(OC(O2)(C)C)CC3=NC4=CC=CC=C4SC(=C3F)C(C(F)(F)F)(F)F)C

Isomeric SMILES

CC1(OC[C@H](O1)[C@@H]2[C@H](OC(O2)(C)C)CC3=NC4=CC=CC=C4SC(=C3F)C(C(F)(F)F)(F)F)C

InChI

InChI=1S/C22H23F6NO4S/c1-19(2)30-10-14(32-19)17-13(31-20(3,4)33-17)9-12-16(23)18(21(24,25)22(26,27)28)34-15-8-6-5-7-11(15)29-12/h5-8,13-14,17H,9-10H2,1-4H3/t13-,14+,17+/m1/s1