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

Systemtic Name: 3-butyl-5-(4-dimethylaminophenyl)-3-ethyl-7-methoxy-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-5-(4-dimethylaminophenyl)-3-ethyl-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-5-(4-dimethylaminophenyl)-3-ethyl-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-5-(4-dimethylaminophenyl)-3-ethyl-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-5-(4-dimethylaminophenyl)-3-ethyl-1,1-diketo-7-methoxy-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/c1-6-8-15-25(7-2)17-31(28,29)22-14-13-20(30-5)16-21(22)23(24(25)27)18-9-11-19(12-10-18)26(3)4/h9-14,16,23-24,27H,6-8,15,17H2,1-5H3