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

Systemtic Name: 3-butyl-3-ethyl-7-methoxy-1,1-bis(oxidanylidene)-5-pyridin-3-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-(3-pyridyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-(3-pyridinyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-pyridin-3-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-7-methoxy-5-(3-pyridyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)OC)C(C1O)C3=CN=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)OC)C(C1O)C3=CN=CC=C3)CC

InChI

InChI=1S/C22H29NO4S/c1-4-6-11-22(5-2)15-28(25,26)19-10-9-17(27-3)13-18(19)20(21(22)24)16-8-7-12-23-14-16/h7-10,12-14,20-21,24H,4-6,11,15H2,1-3H3