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

Systemtic Name: 3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Openeye Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol CAS Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol IUPAC Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S/c1-3-5-13-21(4-2)15-22(17-9-7-6-8-10-17)19-12-11-18(23)14-20(19)26(24,25)16-21/h6-12,14,23H,3-5,13,15-16H2,1-2H3