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

Systemtic Name: 3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-1,1-dioxo-5-(phenylthio)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenylsulfanyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-5-(phenylthio)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C22H28O3S2 MolecularWeight: 404.58592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(C1O)SC3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(C1O)SC3=CC=CC=C3)CC

InChI

InChI=1S/C22H28O3S2/c1-3-5-15-22(4-2)16-27(24,25)19-14-10-9-13-18(19)20(21(22)23)26-17-11-7-6-8-12-17/h6-14,20-21,23H,3-5,15-16H2,1-2H3