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

Systemtic Name: 7-azanyl-3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-pyridin-4-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 7-amino-3-butyl-3-ethyl-1,1-dioxo-5-(4-pyridyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 7-amino-3-butyl-3-ethyl-1,1-dioxo-5-pyridin-4-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 7-amino-3-butyl-3-ethyl-1,1-dioxo-5-pyridin-4-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 7-amino-3-butyl-3-ethyl-1,1-diketo-5-(4-pyridyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N)C(C1O)C3=CC=NC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N)C(C1O)C3=CC=NC=C3)CC

InChI

InChI=1S/C21H28N2O3S/c1-3-5-10-21(4-2)14-27(25,26)18-7-6-16(22)13-17(18)19(20(21)24)15-8-11-23-12-9-15/h6-9,11-13,19-20,24H,3-5,10,14,22H2,1-2H3