3-butyl-3-ethyl-7-(2-methoxyethoxy)-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: 3-butyl-3-ethyl-7-(2-methoxyethoxy)-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-7-(2-methoxyethoxy)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-7-(2-methoxyethoxy)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-7-(2-methoxyethoxy)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-7-(2-methoxyethoxy)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C25H34O5S MolecularWeight: 446.59946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)OCCOC)C(C1O)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)OCCOC)C(C1O)C3=CC=CC=C3)CC

InChI

InChI=1S/C25H34O5S/c1-4-6-14-25(5-2)18-31(27,28)22-13-12-20(30-16-15-29-3)17-21(22)23(24(25)26)19-10-8-7-9-11-19/h7-13,17,23-24,26H,4-6,14-16,18H2,1-3H3