(3S)-7-bromanyl-3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol

Systemtic Name: (3S)-7-bromanyl-3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Openeye Name: (3S)-7-bromo-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol CAS Name: (3S)-7-bromo-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol IUPAC Name: (3S)-7-bromo-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Traditional Name: (3S)-7-bromo-3-butyl-3-ethyl-1,1-diketo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Formula: C21H26BrNO3S MolecularWeight: 452.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)O)Br)C3=CC=CC=C3)CC

Isomeric SMILES

CCCC[C@]1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)O)Br)C3=CC=CC=C3)CC

InChI

InChI=1S/C21H26BrNO3S/c1-3-5-11-21(4-2)14-23(16-9-7-6-8-10-16)18-12-17(22)19(24)13-20(18)27(25,26)15-21/h6-10,12-13,24H,3-5,11,14-15H2,1-2H3/t21-/m0/s1