3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-pyridin-2-yl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol

Systemtic Name: 3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-pyridin-2-yl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol Openeye Name: 3-butyl-3-ethyl-1,1-dioxo-5-(2-pyridyl)-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol CAS Name: 3-butyl-3-ethyl-1,1-dioxo-5-(2-pyridinyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4,8-diol IUPAC Name: 3-butyl-3-ethyl-1,1-dioxo-5-pyridin-2-yl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-5-(2-pyridyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4,8-diol Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)O)C(C1O)C3=CC=CC=N3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)O)C(C1O)C3=CC=CC=N3)CC

InChI

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