[3-butyl-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl] ethanoate

Systemtic Name: [3-butyl-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl] ethanoate Openeye Name: (3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) acetate CAS Name: acetic acid (3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) ester IUPAC Name: (3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) acetate Traditional Name: acetic acid (3-butyl-3-ethyl-4-hydroxy-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) ester Formula: C24H30O5S MolecularWeight: 430.557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O5S/c1-4-6-14-24(5-2)16-30(27,28)21-15-19(29-17(3)25)12-13-20(21)22(23(24)26)18-10-8-7-9-11-18/h7-13,15,22-23,26H,4-6,14,16H2,1-3H3