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

Systemtic Name: 3-butyl-3-ethyl-7-(methylamino)-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-7-(methylamino)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-7-(methylamino)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-7-(methylamino)-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-7-(methylamino)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C23H31NO3S MolecularWeight: 401.56214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S/c1-4-6-14-23(5-2)16-28(26,27)20-13-12-18(24-3)15-19(20)21(22(23)25)17-10-8-7-9-11-17/h7-13,15,21-22,24-25H,4-6,14,16H2,1-3H3