3-[2-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)ethyl]-1,2-dioxiran-3-ol

Systemtic Name: 3-[2-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)ethyl]-1,2-dioxiran-3-ol Openeye Name: 3-[2-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)ethyl]dioxiran-3-ol CAS Name: 3-[2-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)ethyl]-3-dioxiranol IUPAC Name: 3-[2-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)ethyl]dioxiran-3-ol Traditional Name: 3-[2-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)ethyl]dioxiran-3-ol Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)CCC4(OO4)O

Isomeric SMILES

CCC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)CCC4(OO4)O

InChI

InChI=1S/C20H23NO3S/c1-2-19(12-13-20(22)23-24-20)14-25-17-11-7-6-10-16(17)18(21-19)15-8-4-3-5-9-15/h3-11,18,21-22H,2,12-14H2,1H3