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

Systemtic Name: 7-bromanyl-3,3-dibutyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Openeye Name: 7-bromo-3,3-dibutyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol CAS Name: 7-bromo-3,3-dibutyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol IUPAC Name: 7-bromo-3,3-dibutyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Traditional Name: 7-bromo-3,3-dibutyl-1,1-diketo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Formula: C23H30BrNO3S MolecularWeight: 480.4582

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO3S/c1-3-5-12-23(13-6-4-2)16-25(18-10-8-7-9-11-18)20-14-19(24)21(26)15-22(20)29(27,28)17-23/h7-11,14-15,26H,3-6,12-13,16-17H2,1-2H3