3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepine-7,8-diol

Systemtic Name: 3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepine-7,8-diol Openeye Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepine-7,8-diol CAS Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepine-7,8-diol IUPAC Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepine-7,8-diol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepine-7,8-diol Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-3-5-11-21(4-2)14-22(16-9-7-6-8-10-16)17-12-18(23)19(24)13-20(17)27(25,26)15-21/h6-10,12-13,23-24H,3-5,11,14-15H2,1-2H3