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

Systemtic Name: [3-butyl-3-ethyl-4-methyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl] ethanoate Openeye Name: (3-butyl-3-ethyl-4-methyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) acetate CAS Name: acetic acid (3-butyl-3-ethyl-4-methyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) ester IUPAC Name: (3-butyl-3-ethyl-4-methyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) acetate Traditional Name: acetic acid (3-butyl-3-ethyl-1,1-diketo-4-methyl-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-8-yl) ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)OC(=O)C)C(C1C)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)OC(=O)C)C(C1C)C3=CC=CC=C3)CC

InChI

InChI=1S/C25H32O4S/c1-5-7-15-25(6-2)17-30(27,28)23-16-21(29-19(4)26)13-14-22(23)24(18(25)3)20-11-9-8-10-12-20/h8-14,16,18,24H,5-7,15,17H2,1-4H3