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

Systemtic Name: 7-azanyl-3-butyl-3-ethyl-5-(4-hydroxyphenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 7-amino-3-butyl-3-ethyl-5-(4-hydroxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 7-amino-3-butyl-3-ethyl-5-(4-hydroxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 7-amino-3-butyl-3-ethyl-5-(4-hydroxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 7-amino-3-butyl-3-ethyl-5-(4-hydroxyphenyl)-1,1-diketo-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)N)C(C1O)C3=CC=C(C=C3)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-3-5-12-22(4-2)14-28(26,27)19-11-8-16(23)13-18(19)20(21(22)25)15-6-9-17(24)10-7-15/h6-11,13,20-21,24-25H,3-5,12,14,23H2,1-2H3